BioLiP

PDB

BioLiP

PDB CCD ID:

57P

Number of entries in BioLiP:

Chemical formula:

C26 H23 N O2

InChI:

InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)

InChIKey:

VTCPSZSCIMRYND-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5
CACTVS 3.385	OC(=O)CCn1c2ccc(cc2c(c3ccccc3)c1c4ccccc4)C5CC5
ACDLabs 12.01	c25c(n(CCC(=O)O)c(c1ccccc1)c2c3ccccc3)ccc(C4CC4)c5

Name:

3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid

ChEMBL:

CHEMBL3814575

ZINC:

ZINC000210297498

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).