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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03212078

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.76
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.75
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.75
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.7
MGRMALACHITE GREENA,B3BQZ0.8
MGRMALACHITE GREENA1Q8N0.8
MGRMALACHITE GREENA,B3BR00.8
MGRMALACHITE GREENA,D,E3BTL0.8
MGRMALACHITE GREENA,B,D,E3BTC0.8
MGRMALACHITE GREENA,B,D,E1JUP0.8
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.89
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.89
IDMINDOLINEA,B3CEP0.83
IDMINDOLINEA1AEK0.83
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.75
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.7
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.74
PRLPROFLAVINH,I1BCU0.7
PRLPROFLAVINA,B,D,E1QVT0.7
PRLPROFLAVINA,B2KD40.7
PRLPROFLAVINA1QVU0.7
A8BA1ODC0.77
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
BSU1,3-DIPHENYLUREAA3E850.76
BSU1,3-DIPHENYLUREAA2ZJF0.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.72
PRY2-PROPYL-ANILINEA1OWY0.85
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.75
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.86
URSN-PHENYLTHIOUREAA,B1BUG0.73
9AP9-AMINOPHENANTHRENEA1EGY0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.81
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.73
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.77
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.74
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.74
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.74
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.74
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.74
NYLN-ALLYL-ANILINEA1OVK0.79
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.73
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.8
ISOPARA-ISOPROPYLANILINEA,B1ELC0.8
ISOPARA-ISOPROPYLANILINEA,B1ELB0.8
ISOPARA-ISOPROPYLANILINEA,B1ELA0.8
2MI2-METHYL-1H-INDOLEA2PIO0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.76
ANCANTHRACEN-1-YLAMINEA,B1HN20.76
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.77
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.71
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.79
34A3,4-DIMETHYLANILINEA1L4K0.8
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.7
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.72
271N-methyl-1-phenylmethanamineX2RBT0.72
PL01-phenylguanidineA2O8W0.72
1MRN-METHYLANILINEX2OTZ0.79
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.72
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
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.78
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.86
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.71
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.71
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.72
264(phenylamino)acetonitrileA2RBN0.77
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.77
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71