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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00973856

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1802-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-
3-[[2-CARBONYL-5-[2-(PIPERIDIN-
4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-
PROPIONIC ACID		A,B2VC20.74
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.76
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.74
737N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-
BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-
YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-
1-YL}-ACETAMIDE		A1ZTL0.73
62A2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-
1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-
2-CARBONYL)-BUTYL]-ACETAMIDE		A1ZTK0.74
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE		A2BTR0.71
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE		A2A5U0.71
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.72
6322-(5-BENZYLAMINO-2-METHYLSULFANYL-
6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-
1-(THIAZOLE-2-CARBONYL)-BUTYL]-
ACETAMIDE		A1ZTJ0.73
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.76
G95N-[(1S)-2-amino-1-phenylethyl]-
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-
2-carboxamide		A,B3E870.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE		A1Q8U0.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE		A,B3D9V0.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE		A2GNH0.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE		A2GNL0.71
XMJ4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE		A1IQL0.73
QINN-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-
2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-
6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE		A2OAH0.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE		A,B1W220.72
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.76
CDD2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-
2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE		B,C1MUE0.72
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE		A2W090.8
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea		A2RHQ0.71
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea		A,B,C,D2RHS0.71
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.7
I11[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-
4-YL-AMINOMETHYL]ALANYL]PIPERIDINE		H1UVS0.75
CDB2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-
METHYL-6-PYRIDINYL)METHYL]ACETAMIDE		B,C1MU80.75
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate		A2W0B0.71
PR2THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-
OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-
2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE		A1F0S0.78
339(S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-
N-((S)-1-((S)-5-GUANIDINO-1-OXO-
1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-
3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE		A1ZOM0.71
5CBN-(5-CHLORO-BENZO[B]THIOPHEN-3-
YLMETHYL)-2-[6-CHLORO-OXO-3-(2-
PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-
1-YL]-ACETAMIDE		H,I2BVX0.74
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPV0.7
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPW0.7
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.78
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE		A1MMR0.76
815THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-
(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-
2-OXO-PYRROLDIN-3-YL]-AMIDE		A1F0R0.73
B97(10R)-10-methyl-3-(6-methylpyridin-
3-yl)-9,10,11,12-tetrahydro-8H-
[1,4]diazepino[5',6':4,5]thieno[3,2-
f]quinolin-8-one		X3FYJ0.74
796N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-
5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-
2-CARBOXAMIDE		A2GU80.72
NPHCYSTEINE-METHYLENE-CARBAMOYL-1,10-
PHENANTHROLINE		A1A180.74
CM6(2S)-2-[(2,1,3-BENZOTHIADIAZOL-
4-YLSULFONYL)AMINO]-2-PHENYL-N-
PYRIDIN-4-YLACETAMIDE		A2CIB0.7
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE		A1NFW0.8
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.72
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.75
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.75
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.75
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.7
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.71
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.71
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine		A2RIP0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.7
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		1UW60.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.7
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
CDA2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-
PYRIDINYL)METHYL]ACETAMIDE		B,C1MU60.74
XMB4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-
1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-
THIOMORPHOLINE-1,1-DIOXIDE		A1IQE0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.7