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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02218120

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPYNAPHTHALENEA,B1O7G1
PEYPHENANTHRENEA,B2HML0.91
PEYPHENANTHRENEA,B2HMK0.91
AN3ANTHRACENEA,B2HMN0.91
AN3ANTHRACENEA,B2HMM0.91
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.88
OXEORTHO-XYLENEA,B3E0X0.87
OXEORTHO-XYLENEA188L0.87
BDBA,B1KE30.85
FPRPROPYLBENZENEC1RHK0.84
N4BN-BUTYLBENZENEA186L0.84
PYLPHENYLETHANEC1B070.84
PYLPHENYLETHANEA,B2VRM0.84
PYLPHENYLETHANEA1NHB0.84
DENINDENEA183L0.83
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.82
I4BISOBUTYLBENZENEA184L0.82
MBNTOLUENEA,B3D7O0.81
MBNTOLUENEA,B1R1X0.81
MBNTOLUENEA,B1JLX0.81
MBNTOLUENEA,B,C,D3D170.81
MBNTOLUENEA,B2VRL0.81
MBNTOLUENEA,I2Z3E0.81
MBNTOLUENEA,B1YZI0.81
MBNTOLUENEA,B2DN10.81
MBNTOLUENEA,B3EN10.81
PXYPARA-XYLENEA187L0.81
PXYPARA-XYLENEA225L0.81
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.78
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.78
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.78
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.77
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.76
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.73
NTSNAPHTHALENE TRISULFONATEA1RML0.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
BPSA,B2DE40.72
3PL3-PHENYLPROPANALE1Y3G0.71
TTATETRAPHENYL-ARSONIUMA1HYV0.71
118TETRAPHENYLANTIMONIUM IONA1EXI0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.71
2HT3-methylbenzonitrileA,B3F880.71
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.7
ANQACENAPHTHENEQUINONEH,J1OAX0.7
BZQDIPHENYLMETHANONEA,B1GT50.7
BZQDIPHENYLMETHANONEA,B1DZP0.7