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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02395379

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.8
1AN2-FLUOROANILINEA1LGW0.72
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.71
URSN-PHENYLTHIOUREAA,B1BUG0.78
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.78
FTA3-(4-PHENYLAMINO-PHENYLAMINO)-2-
(1H-TETRAZOL-5-YL)-ACRYLONITRILE
A1PZP0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.74
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.73
NYLN-ALLYL-ANILINEA1OVK0.87
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.74
BSU1,3-DIPHENYLUREAA3E850.81
BSU1,3-DIPHENYLUREAA2ZJF0.81
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
5AN3,5-DIFLUOROANILINEA1LGX0.7
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
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
1MRN-METHYLANILINEX2OTZ0.86
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.7
PRY2-PROPYL-ANILINEA1OWY0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.82
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.75
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.73
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.83
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.83
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.75
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.76
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
264(phenylamino)acetonitrileA2RBN0.86
PL01-phenylguanidineA2O8W0.77
A8BA1ODC0.71