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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03924851

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.82
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
GIOCYCLO-(GLYCINE-L-PROLINE) INHIBITORA,B1W1P0.73
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.74
140N-PALMITOYLGLYCINEA,B1JPZ0.71
140N-PALMITOYLGLYCINEA,B1ZOA0.71
140N-PALMITOYLGLYCINEA,B3CBD0.71
ZRGN~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithinamide
A,B3CHC0.77
EPQ(4S)-4-amino-6-fluoro-N,N-dimethyl-
5-oxohexanamide
A,I2H6M0.72
EPQ(4S)-4-amino-6-fluoro-N,N-dimethyl-
5-oxohexanamide
A,I2H9H0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.72
SP7N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}acetamide
A,B3CNP0.74
RIN3-AMINO-AZACYCLOTRIDECAN-2-ONEA,B1KBC0.88
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.75
BB12-[(FORMYL-HYDROXY-AMINO)-METHYL]-
HEXANOIC ACID (1-DIMETHYLCARBAMOYL-
2,2-DIMETHYL-PROPYL)-AMIDE
A,B,C1G270.74
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.76
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.7
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.7
NLNNORLEUCINE AMIDEA1DW60.76
NLNNORLEUCINE AMIDEA,B,C2AOE0.76
NLNNORLEUCINE AMIDEA,B1EBK0.76
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.7
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.7
OHM3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-
YL]DODECANAMIDE
B,H2NTF0.79
KCQ(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-
2-ONE
A,I2Z3E0.7
MNVN-METHYL-C-AMINO VALINEC1CWJ0.73
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDB0.87
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDA0.87
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EDZ0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EWJ0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2DDF0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B,C,D2I470.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,C,E,I1BKC0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2FV90.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3E8R0.74
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.8
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.8
LPDL-PROLINAMIDEH,S2H9E0.77
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.73
RHS3-(CARBOXYAMIDE(2-CARBOXYAMIDE-
2-TERTBUTYLETHYL))PENTAN
A1JLD0.73
ICCazepan-2-oneA,B2ZUK0.73
SSM(2S)-2-(acetylamino)-N-methyl-4-
[(S)-methylsulfinyl]butanamide
A3BQF0.73
ALYN(6)-ACETYLLYSINEA,B2B4D0.77
ALYN(6)-ACETYLLYSINEA,B2OD90.77
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.77
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.77
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.77
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.77
ALYN(6)-ACETYLLYSINEA,B2B5G0.77
ALYN(6)-ACETYLLYSINEA2GIV0.77
ALYN(6)-ACETYLLYSINEB2RNY0.77
ALYN(6)-ACETYLLYSINEA1JSP0.77
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.77
ALYN(6)-ACETYLLYSINEA,D3D4B0.77
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.77
ALYN(6)-ACETYLLYSINEA,B2R0Y0.77
ALYN(6)-ACETYLLYSINEA3CZ70.77
ALYN(6)-ACETYLLYSINEA1JM40.77
ALYN(6)-ACETYLLYSINEA,B2H4H0.77
ALYN(6)-ACETYLLYSINEA,B2J6V0.77
ALYN(6)-ACETYLLYSINEA,B2R100.77
ALYN(6)-ACETYLLYSINEA,B1YC50.77
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.77
ALYN(6)-ACETYLLYSINEA,B2H2G0.77
ALYN(6)-ACETYLLYSINEA,D2H4F0.77
ALYN(6)-ACETYLLYSINEA2OU20.77
ALYN(6)-ACETYLLYSINEA,B1S5P0.77
ALYN(6)-ACETYLLYSINEB2RNW0.77
ALYN(6)-ACETYLLYSINEA3D350.77
ALYN(6)-ACETYLLYSINEA,B2OD20.77
ALYN(6)-ACETYLLYSINEA2ZFN0.77
ALYN(6)-ACETYLLYSINEC,D2C1J0.77
ALYN(6)-ACETYLLYSINEA,B2QQG0.77
ALYN(6)-ACETYLLYSINEB2RNX0.77
ALYN(6)-ACETYLLYSINEA,B1MA30.77
ALYN(6)-ACETYLLYSINEA,B2H2H0.77
ALYN(6)-ACETYLLYSINEA2I2Z0.77
ALYN(6)-ACETYLLYSINEA,B2OD70.77
ALYN(6)-ACETYLLYSINEP1E6I0.77
ALYN(6)-ACETYLLYSINEA,B1SZC0.77
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.77
ALYN(6)-ACETYLLYSINEA,B2H2D0.77
ALYN(6)-ACETYLLYSINEA,B1Q1A0.77
ALYN(6)-ACETYLLYSINEA,B1SZD0.77
ALYN(6)-ACETYLLYSINEQ,R2E3K0.77
ALYN(6)-ACETYLLYSINEA2OZU0.77
ALYN(6)-ACETYLLYSINEA,B2QQF0.77
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.77
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.73
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKC0.74
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKD0.74
1AD(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-
1-CYCLOPENTYL-2-OXOETHANAMINE
A2GBG0.71
BPR(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-
1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-
5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-
2-YL]-L-PROLINAMIDE
A,B,C,D2AJD0.79
LDM3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDEA1OKC0.73
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.73
LYN2,6-DIAMINO-HEXANOIC ACID AMIDEA1GEA0.76
CYKN-hexanoyl-L-homocysteineA3DHC0.71
RE1GLYCYL-L-A-AMINOPIMELYL-E-(D-2-
AMINOETHYL)PHOSPHONATE
A1MPL0.7
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.74