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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02984643

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.77
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.71
73VBENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DC60.72
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.75
ESYbenzyl N-[(benzyloxy)carbonyl]-
L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-
2-hydroxy-4-methylhexanoyl]-L-lysinate
K,Y3E470.7
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.72
VS33-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-
AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-
NITRO-PHENYL ESTER
A1F2B0.72
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.7
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.73
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.72
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.7
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
CLMCHLORAMPHENICOLA1K010.78
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.78
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.78
CLMCHLORAMPHENICOLA2XAT0.78
CLMCHLORAMPHENICOLA4CLA0.78
CLMCHLORAMPHENICOLA1CLA0.78
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.78
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.78
CLMCHLORAMPHENICOLA,B2UXP0.78
CLMCHLORAMPHENICOLA1QHS0.78
CLMCHLORAMPHENICOLA1QHY0.78
CLMCHLORAMPHENICOLA3CLA0.78
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.75
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
A1FKG0.7
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid
A,B3BXS0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.71
NOLN-[(BENZYLOXY)CARBONYL]-O-(TERT-
BUTYL)-L-THREONYL-3-CYCLOHEXYL-
N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-
3-YL]METHYL}ETHYL]-L-ALANINAMIDE
A2GX40.71
ZAHN-[(BENZYLOXY)CARBONYL]-L-ALANYL-
L-PROLINE
A,B2BKL0.7
3UN(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-
2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID
A2H030.72
CL8CHLORAMPHENICOL SUCCINATEA,B,C,D,E,F2JKN0.82
ZU5N-[(benzyloxy)carbonyl]-O-tert-
butyl-L-threonyl-N-[(1R)-4-cyclopropyl-
4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}butyl]-L-leucinamide
A2ZU50.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
77BBENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DCC0.72
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.79
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.71
0E3N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}propyl]-L-leucinamide
A2Z3C0.71
SK2(3R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
A2F6V0.74
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.82
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.82
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.82
U16METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-ISOPROPYLPHENYL)PROPANOYL]-
D-ALANYL-D-LEUCINATE
A2GG90.71
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.84
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,V2GPL0.75
CM2CARBOXYMYCOBACTIN TA,B,C1X8U0.71
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
A,B,C,D1PVJ0.71
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.71
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.71
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER
A,C,D,E,N,P,
Q,R
3H1I0.7
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER
A,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.7
7123-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-
METHYL-D-PHENYLALANINATE
A2PH60.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
U11METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-
3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE
A2GG00.7
WR1NALPHA-[(BENZYLOXY)CARBONYL]-N-
[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-
L-PHENYLALANINAMIDE
A,B2OP90.72
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE
A2GG80.72
AMYANTIMYCINC,D,E3BCC0.7
0E2N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R,2R)-2-hydroxy-1-{[(3R)-2-
oxopyrrolidin-3-yl]methyl}propyl]-
L-leucinamide
A2Z3C0.71
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.8
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE
A,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.7
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.7
BO9N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-
N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-
GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-
L-LYSINAMIDE
A1Z6F0.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71