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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03950408

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL
A1BH60.72
FRFPHE-REDUCED-PHEA,I1GVX0.72
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
B1WBM0.79
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
A1NPA0.77
BEBN,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-
[1-AMINO-INDAN-2-OL]
B1EBY0.7
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,C2A4Q0.73
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.73
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.77
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.7
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.7
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,B2P3C0.77
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
A2P3D0.77
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,B2P3B0.77
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,B2P3A0.77
ESYbenzyl N-[(benzyloxy)carbonyl]-
L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-
2-hydroxy-4-methylhexanoyl]-L-lysinate
K,Y3E470.71
BNH[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-
3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-
2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID
A,C2A4R0.72
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUZ0.78
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.7
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
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
A2BB90.73
A1A6-AMINO HEXANOIC ACIDA2BQV0.75
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.72
BEG2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-
[(2-HYDROXY-INDAN-1-YL)-AMIDE]
A1D4I0.7