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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: N7P
Number of entries in BioLiP: 7
Chemical formula: C7 H11 N O3
InChI: InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
InChIKey: GNMSLDIYJOSUSW-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCC[CH]1C(O)=O
CACTVS 3.385CC(=O)N1CCC[C@H]1C(O)=O
ACDLabs 12.01OC(=O)C1N(C(=O)C)CCC1
OpenEye OEToolkits 2.0.5CC(=O)N1CCC[C@H]1C(=O)O
OpenEye OEToolkits 2.0.5CC(=O)N1CCCC1C(=O)O
Name:1-ACETYL-L-PROLINE;
N-ACETYLPROLINE
ChEMBL: CHEMBL1234599
DrugBank: DB03360
ZINC: ZINC000000119664

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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