Ligand · 03B

03B · 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid

03B, 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid (C47 H50 Cl N7 O6 S2, 908.5 g/mol)…

Component: 03B
Formula: C47 H50 Cl N7 O6 S2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

03B in 2 structures; the first of them:

3SP7 · Crystal Structure of Bcl-xL bound to BM903 · 03B A210 · binds ALA93, GLU96, PHE97, ARG100, TYR101, ALA104, PHE105, LEU108 and 17 more
3SP7 · Crystal structure of BCL-xl bound to BM903 · 03B A210 · binds ALA93, GLU96, PHE97, ARG100, TYR101, ALA104, PHE105, LEU108 and 17 more

Residues it binds most

ALA 2, PHE 2, ARG 2, ASN 2, GLU 2, LEU 2, TYR 2, VAL 2, GLY 2, SER 2 (residue and the binding sites it lines).

Found with

ZN · Zinc ion
ACT · Acetate ion

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