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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01529942

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.78
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.79
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.75
IDMINDOLINEA,B3CEP0.9
IDMINDOLINEA1AEK0.9
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
34A3,4-DIMETHYLANILINEA1L4K0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
NYLN-ALLYL-ANILINEA1OVK0.82
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.85
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.7
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.83
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.73
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.7
A8BA1ODC0.77
264(phenylamino)acetonitrileA2RBN0.81
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.75
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.74
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
BNFN-BENZYLFORMAMIDEA,B1U3U0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.71
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
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.76
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
URSN-PHENYLTHIOUREAA,B1BUG0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.84
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.75
1MRN-METHYLANILINEX2OTZ0.8
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.7
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.76
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.79
271N-methyl-1-phenylmethanamineX2RBT0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
TBO5-CHLORO-8-METHYL-7-(3-METHYL-BUT-
2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-
TRIAZA-BENZO[CD]AZULENE-1-THIONE
A1HNV0.7
TBO5-CHLORO-8-METHYL-7-(3-METHYL-BUT-
2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-
TRIAZA-BENZO[CD]AZULENE-1-THIONE
A1UWB0.7
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.7
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.7
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.71
DPKDEPRENYLA,B2BYB0.72
PL01-phenylguanidineA2O8W0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.87
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.87
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.77
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.77
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.72