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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: MY5
Number of entries in BioLiP: 0
Chemical formula: C16 H22 N4 O6
InChI: InChI=1S/C16H22N4O6/c1-10(15(25)18-8-11-5-3-2-4-6-11)19-16(26)12(21)7-13(22)20(17)9-14(23)24/h2-6,10,12,21H,7-9,17H2,1H3,(H,18,25)(H,19,26)(H,23,24)/t10-,12-/m0/s1
InChIKey: JZPDINAZOJYWHO-JQWIXIFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[CH](NC(=O)[CH](O)CC(=O)N(N)CC(O)=O)C(=O)NCc1ccccc1
ACDLabs 12.01O=C(O)CN(N)C(=O)CC(O)C(=O)NC(C(=O)NCc1ccccc1)C
OpenEye OEToolkits 1.7.2CC(C(=O)NCc1ccccc1)NC(=O)C(CC(=O)N(CC(=O)O)N)O
OpenEye OEToolkits 1.7.2C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O)O)N)O
CACTVS 3.370C[C@H](NC(=O)[C@@H](O)CC(=O)N(N)CC(O)=O)C(=O)NCc1ccccc1
Name:{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
ZINC: ZINC000058651074

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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