BioLiP

PDB

BioLiP

PDB CCD ID:

P3Q

Number of entries in BioLiP:

Chemical formula:

C21 H24 N2 O5

InChI:

InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1

InChIKey:

HHNJWLBRCQJYIP-NDCSFFLDSA-N

SMILES:

Software	SMILES
CACTVS 3.352	N[C@@H](Cc1cc(NC(/CCCc2ccccc2)=C/C=O)c(O)cc1O)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CCCC(=CC=O)Nc2cc(c(cc2O)O)CC(C(=O)O)N
CACTVS 3.352	N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N

Name:

2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine

ZINC:

ZINC000058660590

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).