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BioLiP

PDB CCD ID: 1OT
Number of entries in BioLiP: 13
Chemical formula: C10 H12 N3 O3 P
InChI: InChI=1S/C10H12N3O3P/c11-10(17(14,15)16)8-2-4-9(5-3-8)13-7-1-6-12-13/h1-7,10H,11H2,(H2,14,15,16)/t10-/m1/s1
InChIKey: KEKSMECJAGVZSC-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cnn(c1)c2ccc(cc2)C(N)P(=O)(O)O
CACTVS 3.370N[C@@H](c1ccc(cc1)n2cccn2)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(c1ccc(cc1)n2nccc2)N
CACTVS 3.370N[CH](c1ccc(cc1)n2cccn2)[P](O)(O)=O
OpenEye OEToolkits 1.7.6c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O
Name:{(R)-amino[4-(1H-pyrazol-1-yl)phenyl]methyl}phosphonic acid
ZINC: ZINC000096927715
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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