BioLiP

PDB

BioLiP

PDB CCD ID:

APE

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O2

InChI:

InChI=1S/C9H12N2O2/c10-8(11-9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m1/s1

InChIKey:

FLUFSDHXTIFIQO-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CC(N)NC(=O)O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C[C@H](N)NC(=O)O
CACTVS 3.370	N[CH](Cc1ccccc1)NC(O)=O
ACDLabs 12.01	O=C(O)NC(N)Cc1ccccc1
CACTVS 3.370	N[C@@H](Cc1ccccc1)NC(O)=O

Name:

(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID

ZINC:

ZINC000034930897

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).