BioLiP

PDB

BioLiP

PDB CCD ID:

4OU

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O3

InChI:

InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1

InChIKey:

ZUAJCXDEDFXJER-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C=CC(=O)Nc1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.9.2	C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 12.01	c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N
CACTVS 3.385	N[CH](Cc1ccc(NC(=O)C=C)cc1)C(O)=O
CACTVS 3.385	N[C@@H](Cc1ccc(NC(=O)C=C)cc1)C(O)=O

Name:

4-(acryloylamino)-L-phenylalanine

ZINC:

ZINC000203782534

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).