BioLiP

PDB

BioLiP

PDB CCD ID:

GK5

Number of entries in BioLiP:

Chemical formula:

C22 H24 N2 O2

InChI:

InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)

InChIKey:

BOPSUAHGQHFKGG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4
ACDLabs 10.04	O=C(c3cc(c2ccc(C(=O)NCC1CC1)cc2)c(cc3)C)NC4CC4

Name:

N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide;
N3-cyclopropyl-N4'-(cyclopropylmethyl)-6-methyl-3,4'-biphenyldicarboxamide

ChEMBL:

CHEMBL478649

DrugBank:

DB07835

ZINC:

ZINC000003961852

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).