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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01031071

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
9AP9-AMINOPHENANTHRENEA1EGY0.72
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.71
A8BA1ODC0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
34A3,4-DIMETHYLANILINEA1L4K0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.79
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.74
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
1MRN-METHYLANILINEX2OTZ0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.8
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.71
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.71
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.78
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.78
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.81
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.73
CRIA,B1VKG0.7
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.72
MGRMALACHITE GREENA,B3BQZ0.79
MGRMALACHITE GREENA1Q8N0.79
MGRMALACHITE GREENA,B3BR00.79
MGRMALACHITE GREENA,D,E3BTL0.79
MGRMALACHITE GREENA,B,D,E3BTC0.79
MGRMALACHITE GREENA,B,D,E1JUP0.79
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.82
IDMINDOLINEA,B3CEP0.87
IDMINDOLINEA1AEK0.87
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.86
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.86
PRY2-PROPYL-ANILINEA1OWY0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
NYLN-ALLYL-ANILINEA1OVK0.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile
A3BNZ0.73
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.75
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.75
PYQPYROQUILONA1JA90.71
PYQPYROQUILONA,B,C,D1G0O0.71
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL
A,B,C,D,E,F2P6G0.7
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.74
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.72
264(phenylamino)acetonitrileA2RBN0.74
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.76
5CYN,N'-(dipropyl)-tetramethylindodicarbocyanineC3BEP0.74
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.78
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.78
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.88