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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044922

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.71
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.7
PHQFORMIC ACID BENZYL ESTERA1KJO0.7
PHQFORMIC ACID BENZYL ESTERI2CDR0.7
PHQFORMIC ACID BENZYL ESTERI2C1E0.7
PHQFORMIC ACID BENZYL ESTERI5PAD0.7
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.7
PHQFORMIC ACID BENZYL ESTERA2CNO0.7
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.7
PHQFORMIC ACID BENZYL ESTERI2AZ90.7
PHQFORMIC ACID BENZYL ESTERI2C2K0.7
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.7
PHQFORMIC ACID BENZYL ESTERA1KJP0.7
PHQFORMIC ACID BENZYL ESTERI2C2M0.7
PHQFORMIC ACID BENZYL ESTERI2AZB0.7
PHQFORMIC ACID BENZYL ESTERA9HVP0.7
PHQFORMIC ACID BENZYL ESTERA1ESB0.7
PHQFORMIC ACID BENZYL ESTERE,F1DY80.7
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.7
PHQFORMIC ACID BENZYL ESTERI1GEC0.7
PHQFORMIC ACID BENZYL ESTERA1KS70.7
PHQFORMIC ACID BENZYL ESTERC1A8G0.7
PHQFORMIC ACID BENZYL ESTERA1KKK0.7
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.7
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.7
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.7
PHQFORMIC ACID BENZYL ESTERA1KTO0.7
PHQFORMIC ACID BENZYL ESTERA,C1TG10.7
PHQFORMIC ACID BENZYL ESTERI2AZ80.7
PHQFORMIC ACID BENZYL ESTERA,B2G580.7
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.7
PHQFORMIC ACID BENZYL ESTERI2CJY0.7
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.7
PHQFORMIC ACID BENZYL ESTERA1KR60.7
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.7
PHQFORMIC ACID BENZYL ESTERA1KRO0.7
PHQFORMIC ACID BENZYL ESTERI2CNN0.7
PHQFORMIC ACID BENZYL ESTERI2C2O0.7
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.7
PHQFORMIC ACID BENZYL ESTERA,B1THE0.7
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.7
PHQFORMIC ACID BENZYL ESTERE,I5EST0.7
PHQFORMIC ACID BENZYL ESTERI2CNK0.7
PHQFORMIC ACID BENZYL ESTERA1KL60.7
PHQFORMIC ACID BENZYL ESTERI6PAD0.7
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.7
ALZH,I1AFE0.79
73VBENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DC60.72
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2FZS0.72
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
A1FKG0.75
PHP(2-PHENYL-1-CARBOBENZYL-OXYVALYL-
AMINO)-ETHYL-PHOSPHINIC ACID
A1HOS0.72
0E3N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}propyl]-L-leucinamide
A2Z3C0.72
Y15N-[(1S)-2-{[(1R)-2-(benzyloxy)-
1-cyano-1-methylethyl]amino}-1-
(cyclohexylmethyl)-2-oxoethyl]morpholine-
4-carboxamide
A,B2R9O0.74
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1BLH0.73
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1AXB0.73
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.71
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A3TLH0.79
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A1B110.79
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A6FIV0.79
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A5FIV0.79
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A2HAH0.79
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.72
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.74
959benzyl (2-oxopropyl)carbamateA3D620.8
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.7
ZU3N-[(benzyloxy)carbonyl]-3-[(2,2-
dimethylpropanoyl)amino]-L-alanyl-
N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}pentyl]-L-leucinamide
A2ZU40.76
ZU3N-[(benzyloxy)carbonyl]-3-[(2,2-
dimethylpropanoyl)amino]-L-alanyl-
N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}pentyl]-L-leucinamide
A2ZU30.76
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBY0.77
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H4Y0.77
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBR0.77
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H4W0.77
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H480.77
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H540.77
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H510.77
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBZ0.77
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBQ0.77
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.71
K2Zbenzyl [(1S)-1-{[(1S,2S)-1-ethyl-
2-hydroxy-3-{[3-(4-methylpiperazin-
1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-
3-methylbutyl]carbamate
A2R9F0.79
SBACARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONEA1BQI0.76
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE
A1ZCM0.71
TNK6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACILA1JLA0.76
TNK6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACILA1RT20.76
TNK6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACILA1S1V0.76
ZAHN-[(BENZYLOXY)CARBONYL]-L-ALANYL-
L-PROLINE
A,B2BKL0.77
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.71
MY2{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
I2CNK0.72
MP2N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINEA,B2FU90.76
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL
A1BH60.75
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
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.76
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.76
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.76
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.76
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.76
BO9N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-
N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-
GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-
L-LYSINAMIDE
A1Z6F0.74
MX4{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACIDI2C2M0.79
SDK1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-
L-LEUCYL]AMINO]-2-PROPANONE
A1AU00.81
864(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ20.72
ESYbenzyl N-[(benzyloxy)carbonyl]-
L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-
2-hydroxy-4-methylhexanoyl]-L-lysinate
K,Y3E470.71
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUZ0.72
WR1NALPHA-[(BENZYLOXY)CARBONYL]-N-
[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-
L-PHENYLALANINAMIDE
A,B2OP90.75
0PNN-[(benzyloxy)carbonyl]-L-valyl-
L-alanyl-N~5~-[amino(iminio)methyl]-
L-ornithyl-L-serine
A3G8F0.71
ZPRN-BENZYLOXYCARBONYL-L-PROLYL-L-
PROLINAL
A1QFS0.79
ZPRN-BENZYLOXYCARBONYL-L-PROLYL-L-
PROLINAL
A1H2Y0.79
3TLBENZYL (2S,5S,8S,9R,10R,11S,14S,17S)-
8,11-DIBENZYL-9,10-DIHYDROXY-5,14-
DIISOPROPYL-3,6,13,16-TETRAOXO-
4,7,12,15-TETRAAZAOCTADECANE-2,17-
DIYLDICARBAMATE
A,B2P3C0.7
3TLBENZYL (2S,5S,8S,9R,10R,11S,14S,17S)-
8,11-DIBENZYL-9,10-DIHYDROXY-5,14-
DIISOPROPYL-3,6,13,16-TETRAOXO-
4,7,12,15-TETRAAZAOCTADECANE-2,17-
DIYLDICARBAMATE
A2P3D0.7
3TLBENZYL (2S,5S,8S,9R,10R,11S,14S,17S)-
8,11-DIBENZYL-9,10-DIHYDROXY-5,14-
DIISOPROPYL-3,6,13,16-TETRAOXO-
4,7,12,15-TETRAAZAOCTADECANE-2,17-
DIYLDICARBAMATE
A,B2P3B0.7
3TLBENZYL (2S,5S,8S,9R,10R,11S,14S,17S)-
8,11-DIBENZYL-9,10-DIHYDROXY-5,14-
DIISOPROPYL-3,6,13,16-TETRAOXO-
4,7,12,15-TETRAAZAOCTADECANE-2,17-
DIYLDICARBAMATE
A,B2P3A0.7
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
A,B,I,J1NH00.72
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
I1U8G0.72
ZRABENZOYL-ARGININE-ALANINE-METHYL KETONEA2AIM0.79
BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-
(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-
3-METHYL-BUTYL]AMIDE
A1MS60.78
MYEN2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-
N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE
A1SNK0.76
NOLN-[(BENZYLOXY)CARBONYL]-O-(TERT-
BUTYL)-L-THREONYL-3-CYCLOHEXYL-
N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-
3-YL]METHYL}ETHYL]-L-ALANINAMIDE
A2GX40.7
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
A,B,C,D1PVJ0.8
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.8
PCM1-[N[(PHENYLMETHOXY)CARBONYL]-L-
LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-
/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N
A1AU30.78
T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
A1ME40.74
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.76
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.71
INA1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDEA1AYU0.76
NBLN2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-
1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
A1YK70.81