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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00060265

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.85
XYD2,5-DIMETHYLANILINEA1L4L0.85
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
PRY2-PROPYL-ANILINEA1OWY0.86
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.74
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.75
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.7
SANSULFANILAMIDEA1AJ00.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.77
ANCANTHRACEN-1-YLAMINEA,B1HN20.77
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.84
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
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
1MRN-METHYLANILINEX2OTZ0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.72
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.72
NYLN-ALLYL-ANILINEA1OVK0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.74
PBZP-AMINO BENZAMIDINEA1RFN0.74
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.74
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.74
PBZP-AMINO BENZAMIDINEA1FIZ0.74
PBZP-AMINO BENZAMIDINEA1FIW0.74
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
271N-methyl-1-phenylmethanamineX2RBT0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
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
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.86
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.73
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
3AB3-aminobenzamideA,B,C,D3GOY0.71
9AP9-AMINOPHENANTHRENEA1EGY0.76
ISOPARA-ISOPROPYLANILINEA1BMA0.83
ISOPARA-ISOPROPYLANILINEA,B1ELC0.83
ISOPARA-ISOPROPYLANILINEA,B1ELB0.83
ISOPARA-ISOPROPYLANILINEA,B1ELA0.83
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
264(phenylamino)acetonitrileA2RBN0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.72
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.72
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.76
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.76
34A3,4-DIMETHYLANILINEA1L4K0.87
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76