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BioLiP

PDB CCD ID: 1I1
Number of entries in BioLiP: 1
Chemical formula: C10 H16 N7 O5 P
InChI: InChI=1S/C10H16N7O5P/c11-8-7-9(14-4-13-8)17(5-15-7)2-1-12-6(3-18)10(19)16-23(20,21)22/h4-6,12,18H,1-3H2,(H2,11,13,14)(H3,16,19,20,21,22)/t6-/m0/s1
InChIKey: HTTMPVFKQATMIS-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)CCNC(CO)C(=O)NP(=O)(O)O)N
CACTVS 3.385Nc1ncnc2n(CCN[C@@H](CO)C(=O)N[P](O)(O)=O)cnc12
CACTVS 3.385Nc1ncnc2n(CCN[CH](CO)C(=O)N[P](O)(O)=O)cnc12
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N
Name:((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid
ChEMBL: CHEMBL4860817
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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