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BioLiP

PDB CCD ID: IMG
Number of entries in BioLiP: 3
Chemical formula: C11 H15 N5 O4
InChI: InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1
InChIKey: KBIDJCVAURJXFG-PVEDRDFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=Nc2c(c[nH]c2C(=O)N1)[C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(C(C(N3)CO)O)O
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O
CACTVS 3.341NC1=Nc2c(c[nH]c2C(=O)N1)[CH]3N[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04O=C1NC(=Nc2c1ncc2C3NC(CO)C(O)C3O)N
Name:1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL;
IMMUCILLIN-G
ChEMBL: CHEMBL473922
DrugBank: DB02230
ZINC: ZINC000013525011
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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