MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01222723

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.77
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.77
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
A2JK70.71
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.76
PBN4-PHENYLBUTYLAMINEA1UTP0.76
PRA3-PHENYLPROPYLAMINEA1TNK0.76
PRA3-PHENYLPROPYLAMINEM1UTL0.76
BZZBENZYLHYDRAZINEA,B2E2V0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.77
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.81
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.8
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.86
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.81
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.79
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.78
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.73
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.83
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.83
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.75
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.76
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.76
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.78
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.71
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.72
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.71
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.74
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.7
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.74
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.72
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.74
RRT(R)-RETRO-THIORPHANE1Z9G0.73
DPKDEPRENYLA,B2BYB0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.76
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.74
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.74
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.84
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.87
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.77
PEA2-PHENYLETHYLAMINEA1TNJ0.77
PEA2-PHENYLETHYLAMINED,H2HKM0.77
PEA2-PHENYLETHYLAMINEA1UTO0.77
PEA2-PHENYLETHYLAMINEA,B1D6Y0.77
PEA2-PHENYLETHYLAMINEA,B1D6Z0.77
PEA2-PHENYLETHYLAMINEA,B1D6U0.77
PEA2-PHENYLETHYLAMINEA1UTM0.77
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.72
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.73
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.73
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.72
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.76
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.74
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.72
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.73
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.74
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.8
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.8
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.77
271N-methyl-1-phenylmethanamineX2RBT0.88
CPUA,B1CR60.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.78
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.74
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.72
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.74
ABNBENZYLAMINED,H2HXC0.79
ABNBENZYLAMINEA,I1A860.79
ABNBENZYLAMINEA1UTN0.79
ABNBENZYLAMINEA1N6X0.79
ABNBENZYLAMINEA2BZA0.79
ABNBENZYLAMINEA2EUS0.79
ABNBENZYLAMINEA1N6Y0.79
ABNBENZYLAMINEA1UTJ0.79
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.79
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.74
TTXTENTOXINB1KMH0.74
BNFN-BENZYLFORMAMIDEA,B1U3U0.9
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.7
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.7
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.72
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.71
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.74
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.76
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.74
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.78
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.74
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.74
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.74
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.84
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.74
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
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
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.89
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.9
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.9
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.9
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.74
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.76
PHMPHENYLALANYLMETHANEA,I1PJP0.74
PHMPHENYLALANYLMETHANEA,B,C2J9J0.74
PHMPHENYLALANYLMETHANEA,B,C2JE40.74
S2DN-BENZOYL-D-ALANINEA,B2JCI0.77
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.8
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.74
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
FA4SM-25453A,B2D1O0.7
FA4SM-25453A,B2D1N0.7
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.72
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.7
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.72
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.7
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.71
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.72
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.72
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.76
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.76
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.73
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.74
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.75
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.79
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.82
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.78
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.78
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.8
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.75
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.75
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.75
NFAPHENYLALANINE AMIDEA2A4O0.75
NFAPHENYLALANINE AMIDEA,B1XAE0.75
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.75
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.75
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.75
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.71
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.76
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.72
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.74
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.8
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.72
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
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74