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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03885040

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.9
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.9
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.9
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.73
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.79
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.7
9AP9-AMINOPHENANTHRENEA1EGY0.74
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
34A3,4-DIMETHYLANILINEA1L4K0.72
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.75
ANCANTHRACEN-1-YLAMINEA,B1HN20.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE
H1WZ10.73
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A,B1WRK0.7
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1CTR0.7
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A,B,C,D,E,F1WRL0.7
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1A290.7
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1LIN0.7
MGRMALACHITE GREENA,B3BQZ0.74
MGRMALACHITE GREENA1Q8N0.74
MGRMALACHITE GREENA,B3BR00.74
MGRMALACHITE GREENA,D,E3BTL0.74
MGRMALACHITE GREENA,B,D,E3BTC0.74
MGRMALACHITE GREENA,B,D,E1JUP0.74
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.71
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAR0.76
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAS0.76
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.79
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.79
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.79
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.79
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.79
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.72
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.76
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE
A,B2DOO0.78
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.73
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.9
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.88