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BioLiP

PDB CCD ID: 3DD
Number of entries in BioLiP: 8
Chemical formula: C10 H12 N4 O4
InChI: InChI=1S/C10H12N4O4/c11-9-7-5(1-2-12-9)14(4-13-7)3-6(15)8(16)10(17)18/h1-2,4,6,8,15-16H,3H2,(H2,11,12)(H,17,18)/t6-,8-/m1/s1
InChIKey: PBWCZGPIALILAS-HTRCEHHLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N
ACDLabs 10.04O=C(O)C(O)C(O)Cn1c2ccnc(c2nc1)N
CACTVS 3.341Nc1nccc2n(C[CH](O)[CH](O)C(O)=O)cnc12
OpenEye OEToolkits 1.5.0c1cnc(c2c1n(cn2)CC(C(C(=O)O)O)O)N
CACTVS 3.341Nc1nccc2n(C[C@@H](O)[C@@H](O)C(O)=O)cnc12
Name:(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID
ZINC: ZINC000038599093
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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