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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02676979

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.85
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.78
FBA4-FLUOROBENZYLAMINEA1TNH0.78
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.74
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.77
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.72
271N-methyl-1-phenylmethanamineX2RBT0.83
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
CPUA,B1CR60.73
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.7
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.73
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.72
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.78
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.73
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.79
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.83
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.76
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.85
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.85
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.85
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.71
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.72
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.73
PEA2-PHENYLETHYLAMINEA1TNJ0.73
PEA2-PHENYLETHYLAMINED,H2HKM0.73
PEA2-PHENYLETHYLAMINEA1UTO0.73
PEA2-PHENYLETHYLAMINEA,B1D6Y0.73
PEA2-PHENYLETHYLAMINEA,B1D6Z0.73
PEA2-PHENYLETHYLAMINEA,B1D6U0.73
PEA2-PHENYLETHYLAMINEA1UTM0.73
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.74
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.72
RRT(R)-RETRO-THIORPHANE1Z9G0.72
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.72
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.71
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.72
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.8
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.8
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.88
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.79
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.73
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.75
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.75
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.75
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.72
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.73
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.73
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.73
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.74
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.81
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.74
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.77
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
TTXTENTOXINB1KMH0.74
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.72
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.72
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.72
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.73
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.74
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.74
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.74
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.76
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,B3EYL0.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.77
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.71
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.74
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.74
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.72
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.81
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.81
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.76
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.76
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.77
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.7
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.7
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.76
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.72
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.72
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.7
S2DN-BENZOYL-D-ALANINEA,B2JCI0.75
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.76
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.72
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.79
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.75
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.78
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.77
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.78
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.73
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.73
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.72
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.72
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.72
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.72
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.72
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.7
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
DPKDEPRENYLA,B2BYB0.72
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.71
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.74
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.76
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.73
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.73
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.73
NFAPHENYLALANINE AMIDEA2A4O0.73
NFAPHENYLALANINE AMIDEA,B1XAE0.73
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.73
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.73
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.73
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.73
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.79
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.7
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.7