BioLiP

PDB

BioLiP

PDB CCD ID:

QPD

Number of entries in BioLiP:

Chemical formula:

C17 H16 N4 O2

InChI:

InChI=1S/C17H16N4O2/c18-16(22)15(11-6-2-1-3-7-11)20-21-17(23)13-10-19-14-9-5-4-8-12(13)14/h1-10,15,19-20H,(H2,18,22)(H,21,23)/t15-/m1/s1

InChIKey:

WSPHGVLLBKLDEN-OAHLLOKOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)[C@H](NNC(=O)c1c[nH]c2ccccc12)c3ccccc3
CACTVS 3.385	NC(=O)[CH](NNC(=O)c1c[nH]c2ccccc12)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H](C(=O)N)NNC(=O)c2c[nH]c3c2cccc3
ACDLabs 12.01	c2ccc3ncc(C(=O)NNC(c1ccccc1)C(=O)N)c3c2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(C(=O)N)NNC(=O)c2c[nH]c3c2cccc3

Name:

(2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide

ZINC:

ZINC000026224086

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).