BioLiP

PDB

BioLiP

PDB CCD ID:

BAS

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O

InChI:

InChI=1S/C10H13NO/c1-2-10(11-8-12)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,11,12)/t10-/m1/s1

InChIKey:

UERJGKDKJBSKQN-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC[CH](NC=O)c1ccccc1
OpenEye OEToolkits 1.5.0	CCC(c1ccccc1)NC=O
CACTVS 3.341	CC[C@@H](NC=O)c1ccccc1
ACDLabs 10.04	O=CNC(c1ccccc1)CC
OpenEye OEToolkits 1.5.0	CC[C@H](c1ccccc1)NC=O

Name:

N-(1-PHENYL-PROPYL)-FORMAMIDE

DrugBank:

DB07436

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).