BioLiP

PDB

BioLiP

PDB CCD ID:

W2O

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O

InChI:

InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1

InChIKey:

OBSIQMZKFXFYLV-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C[C@H](C(=O)N)N
CACTVS 3.385	N[CH](Cc1ccccc1)C(N)=O
ACDLabs 12.01	NC(Cc1ccccc1)C(N)=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC(C(=O)N)N
CACTVS 3.385	N[C@H](Cc1ccccc1)C(N)=O

Name:

D-phenylalaninamide

ZINC:

ZINC000019514483

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).