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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00795518

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.85
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.74
S2DN-BENZOYL-D-ALANINEA,B2JCI0.76
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE		A1TFQ0.72
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZNK0.72
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.71
ICL[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-
2-METHYL-PROPYL]-CARBAMIC ACID TERT-
BUTYL ESTER		A1INC0.7
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide		H,I2ZDA0.72
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.73
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide		A2VD40.8
5FH(5S)-5-benzylimidazolidine-2,4-
dione		A2JLO0.74
LORLORACABEFA,B1FCN0.7
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide		A2ZDK0.71
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide		H,I2ZG00.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.74
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
SMK(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(2-aminoethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide		A,B3EYL0.71
2O77A-[(4-cyanophenyl)methyl]-6-(3,5-
dichlorophenyl)-5-oxo-2,3,5,7A-
tetrahydro-1H-pyrrolo[1,2-A]pyrrole-
7-carbonitrile		A2O7N0.71
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE		A2CMA0.73
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH		H1LHG0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.79
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A2STD0.74
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A,B,C7STD0.74
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide		A2ZDN0.72
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide		H,I2ZHF0.72
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZHE0.7
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE		A2H7N0.7
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.72
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE		A1B0F0.72
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE		A1B0E0.72
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9M0.71
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.85
SX44-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-
1-yl]carbonyl}aniline		A,B3CJ30.7
X23(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(aminomethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide		A,B,C,D,E,F,
G,H,I,J		3CM20.7
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide		H,I2ZC90.85
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G460.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G520.71
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.74
M18{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-
2-yl}methyl (3-chlorophenyl)acetate		H,I3EGK0.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.72
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID		N1MMJ0.74
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.79
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.74
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.79
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide		H,I2ZIQ0.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.73
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9O0.71
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE		A1VRU0.72
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE		A1HPZ0.72
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.71
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide		H,I3DHK0.81
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9P0.71
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide		H,I3DT00.85
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.74
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZI20.72
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide		B,H,L3DD20.72
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide		B,D,F,H1XMN0.72
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide		H,I2ZFP0.86
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE		A,B1TA20.79
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE		A2P930.71
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.73
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.79
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide		H,I3DUX0.85
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G450.72
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G1D0.72
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G4J0.7
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G540.7
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.76
BI6(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-
6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-
5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-
A]AZOCINE-3-CARBOXAMIDE		A2JK70.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		A2ZHD0.71
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZHW0.71
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		A2ZFS0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.71
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide		H,I3BIV0.72
ENBETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-
BUTOXYCARBONYL)-L-VALYL]AMINO}-
2-PHENYLETHANOYL)AMINO]-5-[(3S)-
2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE		A,B2D2D0.71
TTXTENTOXINB1KMH0.72
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZGX0.72
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.75
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.77
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9Q0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.77
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.77
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G480.71
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G530.71
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide		H,I2ZHQ0.72
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.72
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER		A2FOV0.73
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER		A,B2FOY0.73
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9N0.71
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE		B2GMT0.75
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9L0.72
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide		A2ZFT0.72
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide		H,I3BIU0.72