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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03480379

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.7
BZZBENZYLHYDRAZINEA,B2E2V0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.86
FBA4-FLUOROBENZYLAMINEA1TNH0.86
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.71
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.77
PRA3-PHENYLPROPYLAMINEA1TNK0.88
PRA3-PHENYLPROPYLAMINEM1UTL0.88
PBN4-PHENYLBUTYLAMINEA1TNI0.88
PBN4-PHENYLBUTYLAMINEA1UTP0.88
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.73
I4BISOBUTYLBENZENEA184L0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.86
ABNBENZYLAMINED,H2HXC0.82
ABNBENZYLAMINEA,I1A860.82
ABNBENZYLAMINEA1UTN0.82
ABNBENZYLAMINEA1N6X0.82
ABNBENZYLAMINEA2BZA0.82
ABNBENZYLAMINEA2EUS0.82
ABNBENZYLAMINEA1N6Y0.82
ABNBENZYLAMINEA1UTJ0.82
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.86
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.86
B2FPHENYLALANINE BORONIC ACIDA,P1P060.86
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.86
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.86
FPRPROPYLBENZENEC1RHK0.74
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.7
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
DPKDEPRENYLA,B2BYB0.82
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.89
PEA2-PHENYLETHYLAMINEA1TNJ0.89
PEA2-PHENYLETHYLAMINED,H2HKM0.89
PEA2-PHENYLETHYLAMINEA1UTO0.89
PEA2-PHENYLETHYLAMINEA,B1D6Y0.89
PEA2-PHENYLETHYLAMINEA,B1D6Z0.89
PEA2-PHENYLETHYLAMINEA,B1D6U0.89
PEA2-PHENYLETHYLAMINEA1UTM0.89
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
PRY2-PROPYL-ANILINEA1OWY0.72
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.73
PHMPHENYLALANYLMETHANEA,I1PJP0.76
PHMPHENYLALANYLMETHANEA,B,C2J9J0.76
PHMPHENYLALANYLMETHANEA,B,C2JE40.76
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.74
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.8
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.84
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.84
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.88
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.88
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.81
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.78
34A3,4-DIMETHYLANILINEA1L4K0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.73
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.7
271N-methyl-1-phenylmethanamineX2RBT0.88
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.77
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.76
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.76
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
PHAPHENYLALANINALA,B1OB20.73
PHAPHENYLALANINALV,Y,Z2WDG0.73
PHAPHENYLALANINALV,Y,Z2WDK0.73
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.73
PHAPHENYLALANINALP3SGA0.73
PHAPHENYLALANINALA,B,C,D,E,F1OB50.73
PHAPHENYLALANINALV,Y,Z2WDM0.73
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.73
PHAPHENYLALANINALA,B1KDV0.73
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.73
PHAPHENYLALANINALA,B1KDY0.73
PHAPHENYLALANINALV,Y,Z3FIC0.73
PHAPHENYLALANINALV,Y,Z2WDH0.73
PHAPHENYLALANINALA,B1KE20.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.8
MEAN-METHYLPHENYLALANINEA2PIL0.7
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.7
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.78
N4BN-BUTYLBENZENEA186L0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.88
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.88
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.88
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.88
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.85
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.75
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.72
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.82
CPUA,B1CR60.76
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.75
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.73
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.8
PHLL-PHENYLALANINOLA,B1JOH0.73
PHLL-PHENYLALANINOLI3APR0.73
PHLL-PHENYLALANINOLA1DLZ0.73
PHLL-PHENYLALANINOLA1IH90.73
PHLL-PHENYLALANINOLA1OB40.73
PHLL-PHENYLALANINOLI2ER60.73
PHLL-PHENYLALANINOLA1R9U0.73
PHLL-PHENYLALANINOLA1OB70.73
PHLL-PHENYLALANINOLA,B1OB60.73
PHLL-PHENYLALANINOLA,B,C1AMT0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.81
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.78
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.78
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.7
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.89
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
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.78
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.77