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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023000

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
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
3AB3-aminobenzamideA,B,C,D3GOY0.72
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.92
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.92
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.92
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.92
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
PRY2-PROPYL-ANILINEA1OWY0.89
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.88
ISOPARA-ISOPROPYLANILINEA1BMA0.91
ISOPARA-ISOPROPYLANILINEA,B1ELC0.91
ISOPARA-ISOPROPYLANILINEA,B1ELB0.91
ISOPARA-ISOPROPYLANILINEA,B1ELA0.91
34A3,4-DIMETHYLANILINEA1L4K0.95
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
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
1AN2-FLUOROANILINEA1LGW0.79
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.9
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.71
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
9AP9-AMINOPHENANTHRENEA1EGY0.81
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.79
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.79
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.77
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.8
ANCANTHRACEN-1-YLAMINEA,B1HN20.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.88
XYD2,5-DIMETHYLANILINEA1L4L0.88
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
5AN3,5-DIFLUOROANILINEA1LGX0.79
1MRN-METHYLANILINEX2OTZ0.71
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.84