Ligand · 30B
30B · (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
30B, (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]di…
- Component
- 30B
- Formula
- C38 H47 N5 O7 S2
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
30B in 1 structure; the first of them:
- 8HNH · Cryo-EM structure of human OATP1B1 in complex with simeprevir · 30B A801 · binds PHE38, LYS41, THR42, ALA45, VAL189, ASN213, PRO220, PHE224 and 11 more
Residues it binds most
PHE 1, ILE 1, THR 1, VAL 1, ALA 1, ARG 1, ASN 1, GLY 1, LYS 1, MET 1 (residue and the binding sites it lines).
Found with
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
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