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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020544

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.85
XYD2,5-DIMETHYLANILINEA1L4L0.85
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.85
ISOPARA-ISOPROPYLANILINEA,B1ELC0.85
ISOPARA-ISOPROPYLANILINEA,B1ELB0.85
ISOPARA-ISOPROPYLANILINEA,B1ELA0.85
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.83
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.7
PRY2-PROPYL-ANILINEA1OWY0.86
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.78
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.78
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.8
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.75
ANCANTHRACEN-1-YLAMINEA,B1HN20.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.8
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.8
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
34A3,4-DIMETHYLANILINEA1L4K0.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
1AN2-FLUOROANILINEA1LGW0.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
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
9AP9-AMINOPHENANTHRENEA1EGY0.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
271N-methyl-1-phenylmethanamineX2RBT0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.75
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72