SEQ2FUN

BioLiP

PDB CCD ID: RFE
Number of entries in BioLiP: 3
Chemical formula: C14 H23 N6 O5 P S
InChI: InChI=1S/C14H23N6O5PS/c1-9(5-20-7-18-11-12(15)16-6-17-13(11)20)25-8-26(23,24)19-10(14(21)22)3-4-27-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,15,16,17)(H2,19,23,24)/t9-,10+/m1/s1
InChIKey: PEQPYHOXTFLJCT-ZJUUUORDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N)ncnc12)C(O)=O
OpenEye OEToolkits 2.0.7C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCSC)C(=O)O)O
CACTVS 3.385CSCC[C@H](N[P](O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12)C(O)=O
OpenEye OEToolkits 2.0.7CC(Cn1cnc2c1ncnc2N)OCP(=O)(NC(CCSC)C(=O)O)O
Name:L-Methionine Tenofovir;
(2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid
ChEMBL: CHEMBL4786103
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).