UniProt O75116

Rho-associated protein kinase 2 (O75116)

Rho-associated protein kinase 2 (UniProt O75116), EC 2.7.11.1: 22 experimental structures and 1 predicted model on GenesisL1, 14 ligands bound, 146 pockets. Binding sites, druggability and experiment against prediction (TM-score)…

UniProt: O75116
Protein: Rho-associated protein kinase 2
EC: 2.7.11.1
Experimental structures: 22
Predicted models: 1
Ligands: 14
Pockets: 146 · 11 records with a druggable one

Structures

23 records of O75116 in the MolNFT archive: 22 experimental, 1 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
4L6Q	ROCK2 in complex with benzoxaborole	x-ray diffraction	A, B	—	—
4L6Q	ROCK2 in complex with benzoxaborole	x-ray diffraction	A, B	—	—
4WOT	ROCK2 in complex with 1426382-07-1	x-ray diffraction	A, B, C, D	—	—
5U7Q	Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model…	x-ray diffraction	A, B, C, D	—	20 (best 0.79)
5U7Q	Identification of a new class of potent CDC7 inhibitors designed by putative pharmacophore model…	x-ray diffraction	A, B, C, D	—	—
5U7R	Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model…	x-ray diffraction	A, B, C, D	81G	20 (best 0.86)
5U7R	Identification of a new class of potent CDC7 inhibitors designed by putative pharmacophore model…	x-ray diffraction	A, B, C, D	81G	—
6ED6	Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor	x-ray diffraction	A, B	J0P	9 (best 0.72)
6ED6	Crystal structure of ROCK2 with a pyridinylbenzamide based inhibitor	x-ray diffraction	A, B	J0P	—
6P5M	Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidi -Based Cdc7 inhibitor with…	x-ray diffraction	A, B, C, D	O1S	20 (best 0.87)
6P5M	Discovery of a novel, highly potent, and selective THIENO[3,2- D]PYRIMIDINONE-based CDC7 inhibitor…	x-ray diffraction	A, B, C, D	O1S	—
6P5P	Discovery of a novel, highly potent, and selective THIENO[3,2- D]PYRIMIDINONE-based CDC7 inhibitor…	x-ray diffraction	A, B, C, D	O1V	—
7JNT	Crystal structure of rho-associated protein kinase 2 (ROCK2) in complex with a potent and selective…	x-ray diffraction	A, B, C, D, E, F, G, H	VFA, CL	20 (best 0.82)
7JNT	Crystal structure of rho-associated protein kinase 2 (ROCK2) in complex with a potent and selective…	x-ray diffraction	A, B, C, D, E, F, G, H	VFA, CL	—
7JOV	Crystal structure of rho-associated protein kinase 2 (ROCK2) in complex with a phenylpyrazole amide…	x-ray diffraction	A, B, C, D, E, F, G, H	VFS, CL	—
7JOV	Crystal structure of rho-associated protein kinase 2 (ROCK2) in complex with a phenylpyrazole amide…	x-ray diffraction	A, B, C, D, E, F, G, H	VFS, CL	—
7P6N	ROCK2 in complex with compound 12	x-ray diffraction	A, B, C, D, E, F, G, H	5YS	—
8GDS	Crystal structure of rho-associated protein kinase 2 (ROCK2) in complex with…	x-ray diffraction	A, B, C, D	Z8O, SO4	20 (best 0.75)
8X8X	Crystal structure of ROCK2 with GNS-2591 inhibitor	x-ray diffraction	A, B	YDW, SO4	8 (best 0.71)
8X8Y	Crystal structure of ROCK2 with GNS-2660 inhibitor	x-ray diffraction	A, B	YEA	5 (best 0.70)
8X8Z	Crystal structure of ROCK2 with GNS-2664 inhibitor	x-ray diffraction	A, B	YEI, SO4	6 (best 0.71)
8X92	Crystal structure of ROCK2 with GNS-2666 inhibitor	x-ray diffraction	A, B	YEW, SO4	7 (best 0.71)
O75116	AlphaFold monomer V2.0 prediction for rho-associated protein kinase 2 (O75116)	predicted	A	—	11 (best 0.66)

Ligands

CL · Chloride ion · in 4 records
SO4 · Sulfate ion · in 4 records
81G · (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one · in 2 records
J0P · N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide · in 2 records
O1S · 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl) methyl]thieno[3,2-d]pyrimidin-4(3H)-one · in 2 records
VFA · N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide · in 2 records
VFS · N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide · in 2 records
5YS · ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide · in 1 record
O1V · 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one · in 1 record
YDW · ~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide · in 1 record
YEA · 3-fluoranyl-~{N}-methyl-5-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide · in 1 record
YEI · ~{N}-methyl-3-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide · in 1 record
YEW · ~{N}-methyl-3-[[6-(2-methylpyrazol-3-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide · in 1 record
Z8O · 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one · in 1 record

Experiment against prediction

7P6N chain H against the predicted model O75116: TM-score 0.99, RMSD 0.52 Å
7JNT chain B against the predicted model O75116: TM-score 0.99, RMSD 0.61 Å
7JNT chain B against the predicted model O75116: TM-score 0.99, RMSD 0.61 Å
4L6Q chain A against the predicted model O75116: TM-score 0.99, RMSD 0.63 Å
4L6Q chain A against the predicted model O75116: TM-score 0.99, RMSD 0.63 Å
7JOV chain A against the predicted model O75116: TM-score 0.99, RMSD 0.65 Å
7JOV chain A against the predicted model O75116: TM-score 0.99, RMSD 0.65 Å
7JOV chain D against the predicted model O75116: TM-score 0.99, RMSD 0.65 Å
7JOV chain D against the predicted model O75116: TM-score 0.99, RMSD 0.65 Å
7P6N chain B against the predicted model O75116: TM-score 0.99, RMSD 0.68 Å

Elsewhere

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.