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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01075208

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.74
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
PRY2-PROPYL-ANILINEA1OWY0.86
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.71
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.7
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.74
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
1AN2-FLUOROANILINEA1LGW0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.78
PBZP-AMINO BENZAMIDINEA1RFN0.78
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.78
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.78
PBZP-AMINO BENZAMIDINEA1FIZ0.78
PBZP-AMINO BENZAMIDINEA1FIW0.78
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.78
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.77
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
ISOPARA-ISOPROPYLANILINEA1BMA0.86
ISOPARA-ISOPROPYLANILINEA,B1ELC0.86
ISOPARA-ISOPROPYLANILINEA,B1ELB0.86
ISOPARA-ISOPROPYLANILINEA,B1ELA0.86
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
5AN3,5-DIFLUOROANILINEA1LGX0.7
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
SANSULFANILAMIDEA1AJ00.74
34A3,4-DIMETHYLANILINEA1L4K0.86
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
9AP9-AMINOPHENANTHRENEA1EGY0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.8
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.75
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
NYLN-ALLYL-ANILINEA1OVK0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.91
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.74
3AB3-aminobenzamideA,B,C,D3GOY0.71
271N-methyl-1-phenylmethanamineX2RBT0.73
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.83
XYD2,5-DIMETHYLANILINEA1L4L0.83
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.71
DPKDEPRENYLA,B2BYB0.72
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)
A,B3BGC0.71
264(phenylamino)acetonitrileA2RBN0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.75
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
TSNTRICHOSTATIN AA,B1T640.7
TSNTRICHOSTATIN AA,B1C3R0.7
TSNTRICHOSTATIN AA,B,C3F0R0.7
TSNTRICHOSTATIN AA,B,C3C100.7