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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02291109

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.84
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
A8BA1ODC0.74
OSPSULTHIAMEA2Q1Q0.7
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
34A3,4-DIMETHYLANILINEA1L4K0.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.78
MGRMALACHITE GREENA,B3BQZ0.8
MGRMALACHITE GREENA1Q8N0.8
MGRMALACHITE GREENA,B3BR00.8
MGRMALACHITE GREENA,D,E3BTL0.8
MGRMALACHITE GREENA,B,D,E3BTC0.8
MGRMALACHITE GREENA,B,D,E1JUP0.8
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.7
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.77
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
1MRN-METHYLANILINEX2OTZ0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.81
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
PRY2-PROPYL-ANILINEA1OWY0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.77
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.76
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.76
CVICRYSTAL VIOLETA,B,D,E1JTX0.8
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.79
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.79
3NT3-NITROTOLUENEA,B2BMR0.7
3NT3-NITROTOLUENEA,B2HMO0.7
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.71
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.8
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.8
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.84
DPKDEPRENYLA,B2BYB0.74
IDMINDOLINEA,B3CEP0.78
IDMINDOLINEA1AEK0.78
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.7
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A,B1WRK0.75
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1CTR0.75
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A,B,C,D,E,F1WRL0.75
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1A290.75
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1LIN0.75
271N-methyl-1-phenylmethanamineX2RBT0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.7
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
NYLN-ALLYL-ANILINEA1OVK0.77
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.79
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.91
264(phenylamino)acetonitrileA2RBN0.77
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.7