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BioLiP

PDB CCD ID: P3Q
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.352N[C@@H](Cc1cc(NC(/CCCc2ccccc2)=C/C=O)c(O)cc1O)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCCC(=CC=O)Nc2cc(c(cc2O)O)CC(C(=O)O)N
CACTVS 3.352N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(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, Peter L 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).

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