BioLiP

PDB

BioLiP

PDB CCD ID:

ZSY

Number of entries in BioLiP:

Chemical formula:

C19 H17 N3 O3

InChI:

InChI=1S/C19H17N3O3/c23-18-15(8-9-16(21-18)17-5-3-11-25-17)19(24)22(14-6-7-14)12-13-4-1-2-10-20-13/h1-5,8-11,14H,6-7,12H2,(H,21,23)

InChIKey:

VTYIZPVGHMMFAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4
ACDLabs 12.01	O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1CC1
OpenEye OEToolkits 2.0.7	c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4

Name:

N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide

ZINC:

ZINC000071839240

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).