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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02616436

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
A,B,C,D1PVJ0.72
983(5S,9R,10R,12S)-12-[3-(AMINOMETHYL)PHENYL]-
5-BENZYL-10-HYDROXY-9-ISOPROPYL-
3-OXO-1-PHENYL-2-OXA-7-THIA-4,8-
DIAZA-10-PHOSPHATRIDECAN-13-OIC ACID 7,7,10-
TRIOXIDE
A,B,C2PJB0.71
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.73
U16METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-ISOPROPYLPHENYL)PROPANOYL]-
D-ALANYL-D-LEUCINATE
A2GG90.72
821A1O430.7
FRFPHE-REDUCED-PHEA,I1GVX0.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
3NH(3S)-TETRAHYDROFURAN-3-YL (1R,2S)-
3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-
2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-
3-OXOPYRROLIDIN-2-YL]-1-BENZYL-
2-HYDROXYPROPYLCARBAMATE
A1NPA0.75
FNH(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-
5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-
1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-
2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2A4Q0.72
VACN,N-BIS(2-HYDROXY-1-INDANYL)-2,6-
DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
B4PHV0.78
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
LGZCARBAMIC ACID 1-{5-BENZYL-5-[2-
HYDROXY-4-PHENYL-3-(TETRAHYDRO-
FURAN- 3-YLOXYCARBONYLAMINO)-BUTYL]-
4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}-
INDAN-2-YL ESTER
A1NPW0.74
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.76
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.76
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.76
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.75
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.75
PH0N-{(2S)-3-[(R)-[(1R)-1-amino-2-
phenylethyl](hydroxy)phosphoryl]-
2-benzylpropanoyl}-L-phenylalanine
A2R590.73
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.73
MRT(5R,9S,12S,15S,18S,21S)-21-benzyl-
12,18-bis(carboxymethyl)-15-cyclohexyl-
1-(9H-fluoren-9-yl)-4-methyl-9-
(2-methylpropyl)-3,6,10,13,16,19-
hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-
hexaazadocosan-22-oic acid
A2ZLG0.78
PP5METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-
L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-
3-PHENYL PROPANOATE
A2WEC0.75
HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-
3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-
PHENYLALANINOL
A1FMB0.72
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE
A2GG80.71
WR1NALPHA-[(BENZYLOXY)CARBONYL]-N-
[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-
L-PHENYLALANINAMIDE
A,B2OP90.71
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
A,B,I,J1NH00.76
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
I1U8G0.76
HH1(3S)-TETRAHYDROFURAN-3-YL (1R)-
3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-
OXOETHYL)-2,3-DIHYDRO-1H-INDEN-
1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-
1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A2BBB0.74
DTF4-[(10S,14S,18S)-18-(2-AMINO-2-
OXOETHYL)-14-(1-NAPHTHYLMETHYL)-
8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-
11-EN-10-YL]BENZYLPHOSPHONIC ACID
A1X0N0.7
M1N(1R)-3-METHYL-1-{[N-(MORPHOLIN-
4-YLCARBONYL)-3-(1-NAPHTHYL)-D-
ALANYL]AMINO}BUTYLBORONIC ACID
2,C,E,G,H,J,
L,N,P,R,T,V,
X,Z
2FHH0.7
S1S2-(4-((9S,10S,14S,Z)-18-(2-AMINO-
2-OXOETHYL)-9-(CARBOXYMETHYL)-14-
(NAPHTHALEN-1-YLMETHYL)-8,17,20-
TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-
11-EN-10-YL)PHENYL)MALONIC ACID
A,B,C,D2AOB0.78
S1S2-(4-((9S,10S,14S,Z)-18-(2-AMINO-
2-OXOETHYL)-9-(CARBOXYMETHYL)-14-
(NAPHTHALEN-1-YLMETHYL)-8,17,20-
TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-
11-EN-10-YL)PHENYL)MALONIC ACID
A,B2AOA0.78
BLL(2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-
BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-
1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE
B1WBM0.77
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.7
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.72
RPRA1F0U0.71
RPRA1EZQ0.71
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.73
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A3TLH0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A1B110.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A6FIV0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A5FIV0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A2HAH0.7
DAI(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-
3A,4,9,9A-TETRAHYDRO-4,9[1',2']-
BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-
DIONE
A,B,C,D1YLS0.7
DAI(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-
3A,4,9,9A-TETRAHYDRO-4,9[1',2']-
BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-
DIONE
A,B,C,D1YKV0.7
WH62-[(1R)-2-carboxy-1-(naphthalen-
1-ylmethyl)ethyl]-1,3-dioxo-2,3-
dihydro-1H-isoindole-5-carboxylic acid
A,B2R9X0.72
PP6METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-
2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-
2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-
1-NAPHTHALENEACETAMIDE]
A2WED0.75
PP6METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-
2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-
2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-
1-NAPHTHALENEACETAMIDE]
A2WEA0.75
GR16-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-
PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID
B,I1QJ70.7
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
AKC2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-
[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-
2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-
2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-
2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A2BB90.7
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.75
T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
A1ME40.75
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.71
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.74
864(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ20.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.76
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.76
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUZ0.74
PP4METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-
2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-
3-PHENYL PROPANOATE
A2WEB0.75
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE
A4FIV0.76
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE
A1ODY0.76
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE
A2FMB0.76
A1A6-AMINO HEXANOIC ACIDA2BQV0.73
BAYB1VIK0.7
BAYA1VIJ0.7
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.74
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.73
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,B2P3C0.73
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
A2P3D0.73
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,B2P3B0.73
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,B2P3A0.73