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Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50550078
Substrate
n/a
Meas. Tech.
ChEMBL_2026369 (CHEMBL4680527)
IC50
82±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:
BDBM50550078
Synonyms:
CHEMBL4777551
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)c1cccc(c1)C(F)(F)F |r,wU:4.7,1.23,(66.55,-8.01,;65.22,-8.79,;65.24,-7.25,;63.91,-6.46,;62.58,-7.22,;62.56,-8.77,;63.88,-9.55,;61.24,-6.45,;59.9,-7.21,;58.57,-6.43,;58.58,-4.88,;57.25,-4.1,;55.91,-4.87,;54.57,-4.09,;53.25,-4.87,;53.25,-6.42,;51.91,-7.19,;54.57,-7.18,;55.91,-6.42,;59.91,-4.11,;61.25,-4.9,;66.55,-9.57,;66.53,-11.1,;67.85,-11.88,;69.19,-11.13,;69.2,-9.58,;67.87,-8.81,;70.53,-8.82,;71.86,-9.6,;70.54,-7.29,;71.85,-8.04,)|
Structure:
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