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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00433469

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione		A3G5H0.71
012(4S)-N-[(1S,2R)-1-benzyl-3-{[3-
(dimethylamino)benzyl]amino}-2-
hydroxypropyl]-1-(3-methoxybenzyl)-
2-oxoimidazolidine-4-carboxamide		A,B,C3CKP0.71
CLMCHLORAMPHENICOLA1K010.74
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1NJI0.74
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.74
CLMCHLORAMPHENICOLA2XAT0.74
CLMCHLORAMPHENICOLA4CLA0.74
CLMCHLORAMPHENICOLA1CLA0.74
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.74
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.74
CLMCHLORAMPHENICOLA,B2UXP0.74
CLMCHLORAMPHENICOLA1QHS0.74
CLMCHLORAMPHENICOLA1QHY0.74
CLMCHLORAMPHENICOLA3CLA0.74
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE		A,L1YED0.74
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE		H,L1YEC0.74
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE		H1YEE0.74
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE		A,B2BKT0.72
CL8CHLORAMPHENICOL SUCCINATEA,B,C,D,E,F2JKN0.72
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE		L1KN40.75
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION		H1A6W0.75
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.75
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE		A2I4H0.72
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE		A2I4G0.72
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION		H,I,J1A6V0.77
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.75
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.7
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.71
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		1KYI0.72
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE		A,B,C,G,H,I,
L,M,N		1OFI0.72
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL		A,B2G700.71
B664-{[(1R,2S)-1,2-dihydroxy-2-methyl-
3-(4-nitrophenoxy)propyl]amino}-
2-(trifluoromethyl)benzonitrile		A3B660.7
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE		L1YEI0.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.7
VS33-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-
AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-
NITRO-PHENYL ESTER		A1F2B0.71
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE		A2AX80.7
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE		A2AX70.7
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE		A2AXA0.7
A24(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H1JR00.71
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE		B2FS40.76
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE		A2BKS0.76
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide		A3B680.72
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.71
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
AY1ANTIMYCIN A1C,D,E1NTK0.71
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.78
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID		L1YEJ0.72
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE		L1KN20.75
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE		A,B,C,D,E,F2P6F0.74
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.73