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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02385149

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.85
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.85
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.85
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.85
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
5AN3,5-DIFLUOROANILINEA1LGX0.74
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
1AN2-FLUOROANILINEA1LGW0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
PBZP-AMINO BENZAMIDINEA,B2BDG0.75
PBZP-AMINO BENZAMIDINEA1RFN0.75
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.75
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.75
PBZP-AMINO BENZAMIDINEA1FIZ0.75
PBZP-AMINO BENZAMIDINEA1FIW0.75
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
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
9AP9-AMINOPHENANTHRENEA1EGY0.75
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.77
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.76
ANCANTHRACEN-1-YLAMINEA,B1HN20.76
PRY2-PROPYL-ANILINEA1OWY0.81
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
34A3,4-DIMETHYLANILINEA1L4K0.8
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.8
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
BRNBERENILA,B268D0.75
BRNBERENILA,B1D630.75
BRNBERENILA,D,E2GBY0.75
BRNBERENILA2DBE0.75
BRNBERENILA2GVR0.75
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74