BioLiP

PDB

BioLiP

PDB CCD ID:

3CF

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O2

InChI:

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

InChIKey:

ZHUOMTMPTNZOJE-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N
CACTVS 3.370	N[C@@H](Cc1cccc(c1)C#N)C(O)=O
ACDLabs 12.01	O=C(O)C(N)Cc1cccc(C#N)c1
OpenEye OEToolkits 1.7.0	c1cc(cc(c1)C#N)CC(C(=O)O)N
CACTVS 3.370	N[CH](Cc1cccc(c1)C#N)C(O)=O

Name:

3-cyano-L-phenylalanine

ChEMBL:

CHEMBL1230101

ZINC:

ZINC000002556575

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).