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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255309

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.78
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.85
ANCANTHRACEN-1-YLAMINEA,B1GT10.77
ANCANTHRACEN-1-YLAMINEA,B1HN20.77
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.8
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
NYLN-ALLYL-ANILINEA1OVK0.81
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.71
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.76
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.87
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
34A3,4-DIMETHYLANILINEA1L4K0.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.91
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.91
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.72
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
264(phenylamino)acetonitrileA2RBN0.79
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.7
MGRMALACHITE GREENA,B3BQZ0.76
MGRMALACHITE GREENA1Q8N0.76
MGRMALACHITE GREENA,B3BR00.76
MGRMALACHITE GREENA,D,E3BTL0.76
MGRMALACHITE GREENA,B,D,E3BTC0.76
MGRMALACHITE GREENA,B,D,E1JUP0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.73
1MRN-METHYLANILINEX2OTZ0.78
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
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
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.74
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.71
IDMINDOLINEA,B3CEP0.85
IDMINDOLINEA1AEK0.85
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.73
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.73
9AP9-AMINOPHENANTHRENEA1EGY0.76
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.71
271N-methyl-1-phenylmethanamineX2RBT0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.74
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.78
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.78
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.71
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
A8BA1ODC0.76
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.7