BioLiP

PDB

BioLiP

PDB CCD ID:

1YZ

Number of entries in BioLiP:

Chemical formula:

C17 H17 N5 O3

InChI:

InChI=1S/C17H17N5O3/c1-2-25-11-7-6-10-4-3-5-14(12(10)8-11)22-9-13(20-17(19)24)15(21-22)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H3,19,20,24)

InChIKey:

JGGFBQCPFJAHOH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N
CACTVS 3.385	CCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
ACDLabs 12.01	O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OCC)cc3

Name:

4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide

ZINC:

ZINC000098208063

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).