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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02249182

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.79
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.71
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.77
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.87
A8BA1ODC0.73
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.73
CRIA,B1VKG0.7
PRY2-PROPYL-ANILINEA1OWY0.73
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.77
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
FEXA1OSH0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.7
34A3,4-DIMETHYLANILINEA1L4K0.78
MGRMALACHITE GREENA,B3BQZ0.87
MGRMALACHITE GREENA1Q8N0.87
MGRMALACHITE GREENA,B3BR00.87
MGRMALACHITE GREENA,D,E3BTL0.87
MGRMALACHITE GREENA,B,D,E3BTC0.87
MGRMALACHITE GREENA,B,D,E1JUP0.87
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.71
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.71
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.71
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.71
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.73
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.73
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.8
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.73
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
ANCANTHRACEN-1-YLAMINEA,B1GT10.79
ANCANTHRACEN-1-YLAMINEA,B1HN20.79
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.78
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.77
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.77
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.77
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.87
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.78
9AP9-AMINOPHENANTHRENEA1EGY0.8
1MRN-METHYLANILINEX2OTZ0.71