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Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50550079
Substrate
n/a
Meas. Tech.
ChEMBL_2026369 (CHEMBL4680527)
IC50
690±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:
BDBM50550079
Synonyms:
CHEMBL4742895
Type:
Small organic molecule
Emp. Form.:
C23H28F3N3O
Mol. Mass.:
419.4831
SMILES:
FC(F)(F)c1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1 |r,wU:13.17,10.10,(44.63,-6.05,;43.3,-6.82,;41.97,-6.04,;43.28,-5.28,;43.29,-8.35,;44.61,-9.13,;44.6,-10.67,;43.26,-11.43,;41.94,-10.65,;41.96,-9.11,;40.64,-8.33,;40.65,-6.79,;39.32,-6,;37.99,-6.77,;37.98,-8.31,;39.29,-9.09,;36.66,-5.99,;35.31,-6.75,;33.99,-5.98,;34,-4.42,;32.66,-3.64,;31.32,-4.41,;29.99,-3.63,;28.66,-4.41,;28.66,-5.96,;27.33,-6.73,;29.99,-6.72,;31.32,-5.96,;35.33,-3.66,;36.67,-4.44,)|
Structure:
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