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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022725

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.85
XYD2,5-DIMETHYLANILINEA1L4L0.85
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.83
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
PHZ1-PHENYLHYDRAZINEA2E2T0.7
PHZ1-PHENYLHYDRAZINED,H2AGL0.7
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.73
ANCANTHRACEN-1-YLAMINEA,B1HN20.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
9AP9-AMINOPHENANTHRENEA1EGY0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
1AN2-FLUOROANILINEA1LGW0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
CVICRYSTAL VIOLETA,B,D,E1JTX0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.79
PBZP-AMINO BENZAMIDINEA1RFN0.79
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.79
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.79
PBZP-AMINO BENZAMIDINEA1FIZ0.79
PBZP-AMINO BENZAMIDINEA1FIW0.79
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.79
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.74
PRY2-PROPYL-ANILINEA1OWY0.88
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.79
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.82
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.87
ISOPARA-ISOPROPYLANILINEA,B1ELC0.87
ISOPARA-ISOPROPYLANILINEA,B1ELB0.87
ISOPARA-ISOPROPYLANILINEA,B1ELA0.87
MGRMALACHITE GREENA,B3BQZ0.77
MGRMALACHITE GREENA1Q8N0.77
MGRMALACHITE GREENA,B3BR00.77
MGRMALACHITE GREENA,D,E3BTL0.77
MGRMALACHITE GREENA,B,D,E3BTC0.77
MGRMALACHITE GREENA,B,D,E1JUP0.77
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.81
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.81
271N-methyl-1-phenylmethanamineX2RBT0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
5AN3,5-DIFLUOROANILINEA1LGX0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
DPKDEPRENYLA,B2BYB0.72
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
34A3,4-DIMETHYLANILINEA1L4K0.87
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76
1MRN-METHYLANILINEX2OTZ0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.84