BioLiP

PDB

BioLiP

PDB CCD ID:

9IJ

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O2

InChI:

InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1

InChIKey:

OCDHPLVCNWBKJN-VIFPVBQESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(Cc1ccccc1C#N)C(=O)O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C[C@@H](C(=O)O)N)C#N
CACTVS 3.385	N[CH](Cc1ccccc1C#N)C(O)=O
CACTVS 3.385	N[C@@H](Cc1ccccc1C#N)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CC(C(=O)O)N)C#N

Name:

2-cyano-L-phenylalanine

ZINC:

ZINC000002385773

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).