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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00087188

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.73
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.7
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.74
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.72
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1KYI0.74
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE
A,B,C,G,H,I,
L,M,N
1OFI0.74
MC1METHICILLIN ACYL-SERINEA,B1MWU0.72
JPR1-(3-chloro-4-methylphenyl)-3-{2-
[({5-[(dimethylamino)methyl]-2-
furyl}methyl)thio]ethyl}urea
A2JPR0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.71
T1D5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-
THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
A2BGD0.7
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE
A,B,C,D1C720.74
BIQBENZYL [12-(2-AMINO-2-OXOETHYL)-
4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-
2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-
1(19),3(22),4,6,17,20-HEXAEN-9-
YL]CARBAMATE
H,V2GPL0.74
VR1(2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-
4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-
YL}AMINO)-2-(4-FLUOROPHENYL)-N-
[(4-NITROPHENYL)SULFONYL]ACETAMIDE
A,B2O5D0.7
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.71
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.73
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.71
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.7
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.7