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Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50550080
Substrate
n/a
Meas. Tech.
ChEMBL_2026369 (CHEMBL4680527)
IC50
64±n/a nM
Citation
 Cunha, MR; Bhardwaj, R; Carrel, AL; Lindinger, S; Romanin, C; Parise-Filho, R; Hediger, MA; Reymond, JL Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor. RSC Med Chem 11:1032-1040 (2020) [PubMed]  Article 
Target
Name:
Transient receptor potential cation channel subfamily V member 6
Synonyms:
CaT-L | CaT-like | CaT1 | Calcium transport protein 1 | ECAC2 | Epithelial calcium channel 2 | TRPV6 | TRPV6_HUMAN
Type:
PROTEIN
Mol. Mass.:
87295.84
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103784
Residue:
765
Sequence:
MGPLQGDGGPALGGADVAPRLSPVRVWPRPQAPKEPALHPMGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWESPLLLAAKDNDVQALNKLLKYEDCKVHQRGAMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTALHIAVVNQNMNLVRALLARRASVSARATGTAFRRSPCNLIYFGEHPLSFAACVNSEEIVRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDRHGDHLQPLDLVPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHTQWTYGPLTSTLYDLTEIDSSGDEQSLLELIITTKKREARQILDQTPVKELVSLKWKRYGRPYFCMLGAIYLLYIICFTMCCIYRPLKPRTNNRTSPRDNTLLQQKLLQEAYMTPKDDIRLVGELVTVIGAIIILLVEVPDIFRMGVTRFFGQTILGGPFHVLIITYAFMVLVTMVMRLISASGEVVPMSFALVLGWCNVMYFARGFQMLGPFTIMIQKMIFGDLMRFCWLMAVVILGFASAFYIIFQTEDPEELGHFYDYPMALFSTFELFLTIIDGPANYNVDLPFMYSITYAAFAIIATLLMLNLLIAMMGDTHWRVAHERDELWRAQIVATTVMLERKLPRCLWPRSGICGREYGLGDRWFLRVEDRQDLNRQRIQRYAQAFHTRGSEDLDKDSVEKLELGCPFSPHLSLPMPSVSRSTSRSSANWERLRQGTLRRDLRGIINRGLEDGESWEYQI
  
Inhibitor
Name:
BDBM50550080
Synonyms:
CHEMBL4796516
Type:
Small organic molecule
Emp. Form.:
C23H28F3N3O
Mol. Mass.:
419.4831
SMILES:
FC(F)(F)c1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1 |r,wU:13.17,10.10,(22.93,-9.55,;21.61,-8.77,;21.62,-7.24,;22.93,-7.99,;20.27,-9.53,;20.26,-11.08,;18.92,-11.83,;17.6,-11.05,;17.62,-9.52,;18.95,-8.76,;16.3,-8.74,;16.31,-7.19,;14.98,-6.41,;13.65,-7.17,;13.63,-8.71,;14.95,-9.5,;12.32,-6.39,;10.97,-7.15,;9.64,-6.38,;9.66,-4.83,;8.32,-4.05,;6.98,-4.82,;5.65,-4.03,;4.32,-4.82,;4.32,-6.36,;2.98,-7.13,;5.65,-7.12,;6.98,-6.36,;10.99,-4.06,;12.33,-4.85,)|
Structure:
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