BioLiP

PDB

BioLiP

PDB CCD ID:

20P

Number of entries in BioLiP:

Chemical formula:

C15 H14 N2 O

InChI:

InChI=1S/C15H14N2O/c18-15(17-12-6-8-16-9-7-12)14-10-13(14)11-4-2-1-3-5-11/h1-9,13-14H,10H2,(H,16,17,18)/t13-,14+/m1/s1

InChIKey:

NOMFGVQIYPJHNJ-KGLIPLIRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Nc1ccncc1)[CH]2C[CH]2c3ccccc3
OpenEye OEToolkits 1.7.6	c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3
ACDLabs 12.01	O=C(Nc1ccncc1)C3CC3c2ccccc2
CACTVS 3.385	O=C(Nc1ccncc1)[C@H]2C[C@@H]2c3ccccc3
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C2CC2C(=O)Nc3ccncc3

Name:

(1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide

ZINC:

ZINC000000461489

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).