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Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50550077
Substrate
n/a
Meas. Tech.
ChEMBL_2026369 (CHEMBL4680527)
IC50
130±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:
BDBM50550077
Synonyms:
CHEMBL4789936
Type:
Small organic molecule
Emp. Form.:
C23H28F3N3O2
Mol. Mass.:
435.4825
SMILES:
O[C@]1(CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1)c1ccccc1C(F)(F)F |r,wU:4.7,1.23,(18.72,-20.47,;17.4,-21.24,;17.41,-19.7,;16.08,-18.91,;14.75,-19.68,;14.73,-21.22,;16.05,-22,;13.42,-18.9,;12.07,-19.66,;10.74,-18.89,;10.76,-17.33,;9.42,-16.55,;8.08,-17.32,;6.75,-16.54,;5.42,-17.32,;5.42,-18.87,;4.09,-19.64,;6.75,-19.63,;8.08,-18.87,;12.09,-16.57,;13.43,-17.35,;18.72,-22.03,;18.7,-23.56,;20.02,-24.34,;21.36,-23.58,;21.37,-22.04,;20.05,-21.26,;20.05,-19.73,;21.39,-18.96,;18.73,-18.95,;20.04,-18.19,)|
Structure:
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