BioLiP

PDB

BioLiP

PDB CCD ID:

ZTO

Number of entries in BioLiP:

Chemical formula:

C23 H19 F N2 O3

InChI:

InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1

InChIKey:

PMXAOPMAOYNZJP-HXUWFJFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4NC3=O)F
CACTVS 3.385	COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3C(=O)Nc4ccc(F)cc34)c2
ACDLabs 12.01	COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H]3c4cc(ccc4NC3=O)F
CACTVS 3.385	COc1ccc(cc1)C(=O)Nc2cccc(C[C@H]3C(=O)Nc4ccc(F)cc34)c2

Name:

N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide

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).