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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02385818

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U51(6E)-7-{6-[(1E)-OCT-1-ENYL]-2,3-
DIAZABICYCLO[2.2.1]HEPT-2-EN-5-
YL}HEPT-6-ENOIC ACID		A,B3B990.71
ZAL3-cyclohexyl-D-alanineI1HBT0.77
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		B1MIK0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		A1CSA0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1CWL0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		A1CYA0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		A,B,D1MF80.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1BCK0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		A,B,D,E,F,H1M630.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1CWC0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1CWI0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C,D1QNH0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		B,D,F,H2RMC0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		T,U,V2POY0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1CYN0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C,D2OJU0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		B,D,F,H,J,L,
N,P,R,T		2RMA0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		A1CYB0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		D1QNG0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		B3CYS0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1CWH0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		A,B,C,D,E,F,
G,H		3BO70.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		A,B,C,D,E,F,
I,J,K,L,M,N		2ESL0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1IKF0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		A,M,N2Z6W0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		B,D,F,H,J,L,
N,P		1C5F0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1CWO0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		D,E,F1XQ70.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1CWA0.75
BMT4-METHYL-4-[(E)-2-BUTENYL]-4,N-
METHYL-THREONINE		C1CWF0.75
TYO(4Z,6E)-2-AMINO-7-HYDROPEROXY-4-
[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID		A,B2HHF0.71
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.72
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.72
OTY2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID		A2E2T0.74
OTY2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID		A3CIW0.74
OTY2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID		A,B2E2V0.74
OTY2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID		A,B2E2U0.74
2BH[(1E,5S)-5-AMINO-5-CARBOXYPENT-
1-ENYL](TRIHYDROXY)BORATE(1-)		A,B,C1T4P0.72
TZATRANS-AMICLENOMYCINA,B1MLZ0.89
GBCGABACULINEA,B,C1GBN0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.77
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A1W6C0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A1W6G0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B,C,D2C100.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1IQX0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B,C,D1N9E0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B2CWT0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1IVX0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1IU70.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1JRQ0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1UI80.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1QAF0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1OAC0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1DYU0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A1RKY0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B,D,E2PNC0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A1AV40.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B,C,D,E,F2OQE0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A1W7C0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A2CFK0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A2CFL0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A2CFW0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A2CG00.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B,C,D,E,F2OOV0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1KSI0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1PU40.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1WMO0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B2CFD0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B2CFG0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1WMN0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B2W0Q0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B,C,D,E,F1A2V0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B,C,D1W2Z0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A2CG10.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1US10.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1IVW0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A1AVL0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1QAK0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1TU50.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A2BT30.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1QAL0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A,B1IQY0.72
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE		A1RJO0.72
2NPL-2-AMINO-6-METHYLENE-PIMELIC ACIDA,B1F060.77
LYRN~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-
9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-
1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE		A,B2J4Y0.75
ACZCIS-AMICLENOMYCINA,B1MLY0.89
DPND-PHENYLALANINEP1MCS0.71
DPND-PHENYLALANINEA1GOE0.71
DPND-PHENYLALANINEA2RM90.71
DPND-PHENYLALANINEA1SOC0.71
DPND-PHENYLALANINEB,C,E,F1SFQ0.71
DPND-PHENYLALANINEI1ABJ0.71
DPND-PHENYLALANINEP1DWE0.71
DPND-PHENYLALANINEI,M1HLT0.71
DPND-PHENYLALANINEA,H,L1J9C0.71
DPND-PHENYLALANINEI,T1TMB0.71
DPND-PHENYLALANINEA2JRY0.71
DPND-PHENYLALANINEA2SOC0.71
DPND-PHENYLALANINEA2YYF0.71
DPND-PHENYLALANINEI2HGT0.71
DPND-PHENYLALANINEA,D2Q3I0.71
DPND-PHENYLALANINEA,P1MCD0.71
DPND-PHENYLALANINEP1HAO0.71
DPND-PHENYLALANINEA,B,I1Z8J0.71
DPND-PHENYLALANINEA,B,C2PGQ0.71
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y		1DVA0.71
DPND-PHENYLALANINEP1NRR0.71
DPND-PHENYLALANINEI1PPB0.71
DPND-PHENYLALANINEC,D,G,H1NU70.71
DPND-PHENYLALANINEI2HPP0.71
DPND-PHENYLALANINEB,C2OD30.71
DPND-PHENYLALANINEA1B0Q0.71
DPND-PHENYLALANINEB,C,E,F1NU90.71
DPND-PHENYLALANINEA,B,I1Z8I0.71
DPND-PHENYLALANINEH,I,J1TMU0.71
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.71
DPND-PHENYLALANINEA1GO90.71
DPND-PHENYLALANINEB,C,E,F1A0H0.71
DPND-PHENYLALANINEP1MCF0.71
DPND-PHENYLALANINEA2RME0.71
DPND-PHENYLALANINEH,I1TMT0.71
DPND-PHENYLALANINEI1ABI0.71
DPND-PHENYLALANINER1NRQ0.71
DPND-PHENYLALANINEB,C,F,G2A1D0.71
DPND-PHENYLALANINEA,B2Q330.71
DPND-PHENYLALANINEC,H,L1DAN0.71
DPND-PHENYLALANINEP1MCE0.71
DPND-PHENYLALANINEB,C,E,F2A450.71
DPND-PHENYLALANINEA2RMI0.71
DPND-PHENYLALANINEA,B,I1TQ70.71
DPND-PHENYLALANINEA1W7M0.71
DPND-PHENYLALANINEP1HAP0.71
DPND-PHENYLALANINEA,B1ORF0.71
DPND-PHENYLALANINEI1IHS0.71
DPND-PHENYLALANINEP1MCC0.71
DPND-PHENYLALANINEA2RMD0.71
DPND-PHENYLALANINEA2JQB0.71
DPND-PHENYLALANINEI2HPQ0.71
DPND-PHENYLALANINEC,E,F1SHH0.71
DPND-PHENYLALANINEA,I1CVR0.71
DPND-PHENYLALANINEL,P1AUT0.71
DPND-PHENYLALANINEP1MCI0.71
DPND-PHENYLALANINEH,I3F6U0.71
DPND-PHENYLALANINEA1BFW0.71
DPND-PHENYLALANINEH,I1HAI0.71
DPND-PHENYLALANINEB,C2THF0.71
DPND-PHENYLALANINEI1IHT0.71
DPND-PHENYLALANINEA,P1MCJ0.71
DPND-PHENYLALANINEA1TKH0.71
DPND-PHENYLALANINEC,H,L,T2FIR0.71
DPND-PHENYLALANINEA2FMZ0.71
DPND-PHENYLALANINEA1YL90.71
DPND-PHENYLALANINEI1HUT0.71
DPND-PHENYLALANINEI1FXY0.71
DPND-PHENYLALANINEA1YL80.71
DPND-PHENYLALANINEC,H,L1QFK0.71
DPND-PHENYLALANINEP1MCB0.71
DPQ(S)-2-AMINO-3-(4-HYDROXY-3-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID		A,B2YX90.76
DMT3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-
6-OCTENOIC ACID		B,D,F,H,J,L,
N,P,R,T		2RMB0.72
DMT3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-
6-OCTENOIC ACID		C1CWB0.72
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.78
CHGCYCLOHEXYL-GLYCINEH,I4THN0.78
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.78
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.78
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.71
HPEHOMOPHENYLALANINEA,B1B1H0.71