BioLiP

PDB

BioLiP

PDB CCD ID:

GK6

Number of entries in BioLiP:

Chemical formula:

C28 H30 N4 O3

InChI:

InChI=1S/C28H30N4O3/c1-19-2-9-24(31-28(34)23-10-11-29-26(16-23)32-12-14-35-15-13-32)17-25(19)21-5-7-22(8-6-21)27(33)30-18-20-3-4-20/h2,5-11,16-17,20H,3-4,12-15,18H2,1H3,(H,30,33)(H,31,34)

InChIKey:

BOQNSWFZUHQNRG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Cc1ccc(NC(=O)c2ccnc(c2)N3CCOCC3)cc1c4ccc(cc4)C(=O)NCC5CC5
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5
ACDLabs 10.04	O=C(NCC1CC1)c2ccc(cc2)c3c(ccc(c3)NC(=O)c4cc(ncc4)N5CCOCC5)C

Name:

N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide;
N-(4'-{[(cyclopropylmethyl)amino]carbonyl}-6-methyl-3-biphenylyl)-2-(4-morpholinyl)-4-pyridinecarboxamide

ChEMBL:

CHEMBL476351

ZINC:

ZINC000020148989

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).