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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02821751

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MGRMALACHITE GREENA,B3BQZ0.83
MGRMALACHITE GREENA1Q8N0.83
MGRMALACHITE GREENA,B3BR00.83
MGRMALACHITE GREENA,D,E3BTL0.83
MGRMALACHITE GREENA,B,D,E3BTC0.83
MGRMALACHITE GREENA,B,D,E1JUP0.83
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.92
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.92
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.8
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
A8BA1ODC0.73
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.7
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.87
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.87
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.83
264(phenylamino)acetonitrileA2RBN0.71
PRY2-PROPYL-ANILINEA1OWY0.73
DPKDEPRENYLA,B2BYB0.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.83
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.7
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.74
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.79
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.79
DZP7-CHLORO-1-METHYL-5-PHENYL-1,3-
DIHYDRO-2H-1,4-BENZODIAZEPIN-2-
ONE
A,B2BXF0.74
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.82
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A,B1WRK0.72
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1CTR0.72
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A,B,C,D,E,F1WRL0.72
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1A290.72
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1LIN0.72
5CYN,N'-(dipropyl)-tetramethylindodicarbocyanineC3BEP0.7
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.72
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.7
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.97
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
NYLN-ALLYL-ANILINEA1OVK0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.87
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71