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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03073939

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A79N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE		A1HVC0.7
A79N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE		A1HVK0.7
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.71
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.71
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,C1HSH0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B1SDU0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B,C,D2R5P0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B1HSG0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B1SDV0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B2AVS0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B2AVO0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B1SDT0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B,D,E2AVV0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B2B7Z0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B1C6Y0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B2BPX0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B1K6C0.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B1SGU0.7
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.73
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.74
XN1N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4-
HYDROXY-2-(1-PHENYLETHYL)-PENTANAMIDE		A,B1K6T0.7
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.76
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.71
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.71
PHN1,10-PHENANTHROLINEA1LIH0.75
PHN1,10-PHENANTHROLINEA2LIG0.75
PHN1,10-PHENANTHROLINEA,B2FU70.75
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.8
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.74
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.73
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.76
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.72
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.73
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.73
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.7
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.7
MOJ(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-
3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-
5(6H)-one oxime		A3FT80.71
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)		A2RAH0.7
BRFA1UUO0.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.7
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM		A,B2G210.71
LA1(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-
(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-
1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE		A,B1XUO0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.71
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.72
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.74
BMSA,B1DKF0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.72
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.73
A76N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE		B1HVL0.7
GGWmethyl [(1S,4S,5S,7S,10S)-4-benzyl-
1,10-di-tert-butyl-5-hydroxy-2,9,12-
trioxo-7-(4-pyridin-2-ylbenzyl)-
13-oxa-3,8,11-triazatetradec-1-
yl]carbamate		H3GGA0.71
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE		A,B,C,D2CKE0.71
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.74
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide		A,B,C,D3EUI0.7
MYTMETYRAPONEA1PHG0.74
MYTMETYRAPONEA1W0G0.74
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.75
NPHCYSTEINE-METHYLENE-CARBAMOYL-1,10-
PHENANTHROLINE		A1A180.73
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.71
DEQDEQUALINIUMA,B,D,E1JT60.7
DEQDEQUALINIUMA,B,D,E3BR20.7
DEQDEQUALINIUMA1OYD0.7
DEQDEQUALINIUMA,B,D,E3BT90.7
DEQDEQUALINIUMA,B,D,E3BTJ0.7
DEQDEQUALINIUMA,B,D,E3BR10.7
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID		A,B1MMP0.71
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.84
A85N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE		A,B1DIF0.72
ISQISOQUINOLINEA1GDK0.78
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.76
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.7
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.77
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.72
1SQISOQUINOLIN-1-AMINEA2OHK0.73
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPV0.72
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPW0.72
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE		A1Q8U0.7
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE		A,B3D9V0.7
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE		A2GNH0.7
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE		A2GNL0.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T		1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.77
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime		A,B3D4Q0.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.7
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.7
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE		A2OHR0.7
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.71
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid		A3F2A0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.72
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.71
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.71
A77N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE		A1HVI0.7
A77N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE		A1HVS0.7
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.73
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.71
4PPC,L1XKA0.75
4PPA,B,C,D1XKB0.75
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.74
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.74
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.74
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.72
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.72
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.72