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Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50550089
Substrate
n/a
Meas. Tech.
ChEMBL_2026369 (CHEMBL4680527)
IC50
1600±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:
BDBM50550089
Synonyms:
CHEMBL4789968
Type:
Small organic molecule
Emp. Form.:
C24H32N2O2
Mol. Mass.:
380.5231
SMILES:
COc1cc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)c2ccccc2)ccc1O |r,wU:12.12,15.19,(46.77,-6.53,;48.11,-5.76,;49.44,-6.54,;50.78,-5.77,;52.11,-6.55,;53.45,-5.79,;54.78,-6.56,;54.77,-8.11,;56.08,-8.88,;57.42,-8.12,;57.43,-6.58,;56.1,-5.8,;58.75,-8.9,;60.09,-8.13,;61.42,-8.93,;61.41,-10.47,;60.06,-11.22,;58.74,-10.44,;62.73,-11.25,;62.71,-12.79,;64.04,-13.57,;65.38,-12.81,;65.39,-11.26,;64.06,-10.49,;52.11,-8.08,;50.78,-8.86,;49.44,-8.08,;48.1,-8.85,)|
Structure:
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