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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02480046

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.7
OSC(2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-
2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-
6-HYDROXY-1-{N-[(2S)-2-HYDROXY-
3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-
1H-INDOLE-2-CARBOXAMIDE		B,C,D1RIW0.7
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM		A,B,C,D1PVJ0.77
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER		X1U9Q0.74
0E2N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R,2R)-2-hydroxy-1-{[(3R)-2-
oxopyrrolidin-3-yl]methyl}propyl]-
L-leucinamide		A2Z3C0.73
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL		A1BH60.77
AGFO-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-
ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-
L-PHENYLLACTATE		A8CPA0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A3TLH0.76
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A1B110.76
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A6FIV0.76
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A5FIV0.76
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A2HAH0.76
X9AA,B3E7A0.73
NBLN2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-
1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE		A1YK70.74
AG6N-[(benzyloxy)carbonyl]-L-alpha-
glutamyl-N-[(1S)-4-oxo-4-phenyl-
1-propylbut-2-en-1-yl]-L-phenylalaninamide		A3FRZ0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B1MTC0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B5FWG0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B2PGT0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B3FYG0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B3GST0.71
INA1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDEA1AYU0.73
SDK1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-
L-LEUCYL]AMINO]-2-PROPANONE		A1AU00.77
PH52-PHENYL-PROP5ACA,B2BVE0.71
A9A1-(SULFOGLYCOLOYL-LEUCYL-THREONYL-
VALYL-N-METHYLTYROSYL-LEUCYL)-3-
(ARGINYLANYLAMINO)-6-HYDROXY-2-
PIPERIDONE		A1TPS0.7
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2HBY0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H4Y0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2HBR0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H4W0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H480.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H540.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H510.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2HBZ0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2HBQ0.72
GSOL-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-
2-PHENYLETHYL]-L-CYSTEINYLGLYCINE		A,B,C,D2C4J0.72
ESYbenzyl N-[(benzyloxy)carbonyl]-
L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-
2-hydroxy-4-methylhexanoyl]-L-lysinate		K,Y3E470.73
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL		A1BP40.74
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE		A1ZCM0.71
DFKD-PHENYLALANYL-N-[(1S)-4-{[(Z)-
AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-
L-PROLINAMIDE		H,L3E6P0.73
0E3N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}propyl]-L-leucinamide		A2Z3C0.74
MP2N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINEA,B2FU90.71
73VBENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE		A2DC60.75
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE		A1FKG0.77
BO9N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-
N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-
GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-
L-LYSINAMIDE		A1Z6F0.76
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		2FZS0.73
PCM1-[N[(PHENYLMETHOXY)CARBONYL]-L-
LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-
/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N		A1AU30.74
0PNN-[(benzyloxy)carbonyl]-L-valyl-
L-alanyl-N~5~-[amino(iminio)methyl]-
L-ornithyl-L-serine		A3G8F0.79
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.71
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.71
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.71
MOQMOTUPORINA2BCD0.71
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,B2P3C0.72
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		A2P3D0.72
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,B2P3B0.72
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,B2P3A0.72
FRG2-[3-METHYL-4-(N-METHYL-GUANIDINO)-
BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-
PHENYL)-PROPIONIC ACID METHYL ESTER		A,B1M480.77
ALZH,I1AFE0.72
WR1NALPHA-[(BENZYLOXY)CARBONYL]-N-
[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-
L-PHENYLALANINAMIDE		A,B2OP90.74
SBACARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONEA1BQI0.73
U11METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-
3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE		A2GG00.73
BEIN,N-[2,5-O-[DIBENZYL]-GLUCARYL]-
DI-[ISOLEUCYL-AMIDO-METHANE]		A1EBW0.72
NOLN-[(BENZYLOXY)CARBONYL]-O-(TERT-
BUTYL)-L-THREONYL-3-CYCLOHEXYL-
N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-
3-YL]METHYL}ETHYL]-L-ALANINAMIDE		A2GX40.75
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		A,B,I,J1NH00.73
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		I1U8G0.73
CHYCHYMOSTATINA,B1M210.72
CHYCHYMOSTATINA,B1WVM0.72
DKT4-[2-(3-BENZYLOXYCARBONYLAMINO-
4-CYCLOHEXYL-1-HYDROXY-2-OXO-BUTYLAMINO)-
5-GUANIDINO-PENTANOYLAMINO]-4-(1-
CARBOXY-2-CYCLOHEXYL-ETHYLCARBAMOYL)-
BUTYRIC ACID		A,B,C,D,E,F1N6F0.8
T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER		A1ME40.72
CS7N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-
2-YL]-1-(3,5-DIFLUOROBENZYL)-2-
HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QMD0.7
K2Zbenzyl [(1S)-1-{[(1S,2S)-1-ethyl-
2-hydroxy-3-{[3-(4-methylpiperazin-
1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-
3-methylbutyl]carbamate		A2R9F0.73
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUX0.71
ZU5N-[(benzyloxy)carbonyl]-O-tert-
butyl-L-threonyl-N-[(1R)-4-cyclopropyl-
4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}butyl]-L-leucinamide		A2ZU50.74
ZAFO-(((1R)-((N-PHENYLMETHOXYCARBONYL-
L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-
L-BENZYLACETIC ACID		A6CPA0.7
46U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexyloxy)ethanoyl)pyrrolidine-
2-carboxamide		H,I2ZFR0.7
46U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexyloxy)ethanoyl)pyrrolidine-
2-carboxamide		A2ZDM0.7
ZRABENZOYL-ARGININE-ALANINE-METHYL KETONEA2AIM0.79
Y15N-[(1S)-2-{[(1R)-2-(benzyloxy)-
1-cyano-1-methylethyl]amino}-1-
(cyclohexylmethyl)-2-oxoethyl]morpholine-
4-carboxamide		A,B2R9O0.76
BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-
(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-
3-METHYL-BUTYL]AMIDE		A1MS60.77
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B2GST0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSW0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSV0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A1B4P0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSX0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSU0.71
DRRA,B3BXR0.71
77BBENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE		A2DCC0.75
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,B3BXS0.71
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER		B1SIV0.71
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER		B1AAQ0.71
ZAHN-[(BENZYLOXY)CARBONYL]-L-ALANYL-
L-PROLINE		A,B2BKL0.76
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine		A,B3CHD0.73
PKFCARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-
ALA-PRO-OME		A1QJI0.74
ZU3N-[(benzyloxy)carbonyl]-3-[(2,2-
dimethylpropanoyl)amino]-L-alanyl-
N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}pentyl]-L-leucinamide		A2ZU40.72
ZU3N-[(benzyloxy)carbonyl]-3-[(2,2-
dimethylpropanoyl)amino]-L-alanyl-
N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}pentyl]-L-leucinamide		A2ZU30.72
AIPANTIPAINA,B1BCR0.73