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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03113296

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.74
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.7
3AB3-aminobenzamideA,B,C,D3GOY0.72
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.89
XYD2,5-DIMETHYLANILINEA1L4L0.89
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.72
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
9AP9-AMINOPHENANTHRENEA1EGY0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
SANSULFANILAMIDEA1AJ00.73
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
PRY2-PROPYL-ANILINEA1OWY0.85
ANCANTHRACEN-1-YLAMINEA,B1GT10.75
ANCANTHRACEN-1-YLAMINEA,B1HN20.75
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)
A,B3BGC0.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.73
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.73
MGRMALACHITE GREENA,B3BQZ0.71
MGRMALACHITE GREENA1Q8N0.71
MGRMALACHITE GREENA,B3BR00.71
MGRMALACHITE GREENA,D,E3BTL0.71
MGRMALACHITE GREENA,B,D,E3BTC0.71
MGRMALACHITE GREENA,B,D,E1JUP0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
34A3,4-DIMETHYLANILINEA1L4K0.83
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.86
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.7
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
NIT4-NITROANILINEC,D1RMH0.7
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.7
NIT4-NITROANILINEB1VBS0.7
NIT4-NITROANILINEC1V9T0.7
NIT4-NITROANILINEC,D1VBT0.7
NIT4-NITROANILINEB1LOP0.7
NIT4-NITROANILINEC,D1ZKF0.7
NIT4-NITROANILINEB1PIP0.7
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
1AN2-FLUOROANILINEA1LGW0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.81
ISOPARA-ISOPROPYLANILINEA,B1ELC0.81
ISOPARA-ISOPROPYLANILINEA,B1ELB0.81
ISOPARA-ISOPROPYLANILINEA,B1ELA0.81
271N-methyl-1-phenylmethanamineX2RBT0.72
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.71
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
NYLN-ALLYL-ANILINEA1OVK0.72
264(phenylamino)acetonitrileA2RBN0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76