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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03620621

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CTBN-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACIDA,B1FSW0.73
IOYP-IODO-D-PHENYLALANINEA1XBU0.72
SPATHIOPHENEACETIC ACIDB1AJQ0.73
MEAN-METHYLPHENYLALANINEA2PIL0.71
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.71
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.71
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.73
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.73
HPEHOMOPHENYLALANINEA,B1B1H0.73
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.7
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.7
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.7
THN2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-
METHYL]-5-METHYLENE-5,6-DIHYDRO-
2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
A,B1KVL0.72
DPND-PHENYLALANINEP1MCS0.74
DPND-PHENYLALANINEA1GOE0.74
DPND-PHENYLALANINEA2RM90.74
DPND-PHENYLALANINEA1SOC0.74
DPND-PHENYLALANINEB,C,E,F1SFQ0.74
DPND-PHENYLALANINEI1ABJ0.74
DPND-PHENYLALANINEP1DWE0.74
DPND-PHENYLALANINEI,M1HLT0.74
DPND-PHENYLALANINEA,H,L1J9C0.74
DPND-PHENYLALANINEI,T1TMB0.74
DPND-PHENYLALANINEA2JRY0.74
DPND-PHENYLALANINEA2SOC0.74
DPND-PHENYLALANINEA2YYF0.74
DPND-PHENYLALANINEI2HGT0.74
DPND-PHENYLALANINEA,D2Q3I0.74
DPND-PHENYLALANINEA,P1MCD0.74
DPND-PHENYLALANINEP1HAO0.74
DPND-PHENYLALANINEA,B,I1Z8J0.74
DPND-PHENYLALANINEA,B,C2PGQ0.74
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.74
DPND-PHENYLALANINEP1NRR0.74
DPND-PHENYLALANINEI1PPB0.74
DPND-PHENYLALANINEC,D,G,H1NU70.74
DPND-PHENYLALANINEI2HPP0.74
DPND-PHENYLALANINEB,C2OD30.74
DPND-PHENYLALANINEA1B0Q0.74
DPND-PHENYLALANINEB,C,E,F1NU90.74
DPND-PHENYLALANINEA,B,I1Z8I0.74
DPND-PHENYLALANINEH,I,J1TMU0.74
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.74
DPND-PHENYLALANINEA1GO90.74
DPND-PHENYLALANINEB,C,E,F1A0H0.74
DPND-PHENYLALANINEP1MCF0.74
DPND-PHENYLALANINEA2RME0.74
DPND-PHENYLALANINEH,I1TMT0.74
DPND-PHENYLALANINEI1ABI0.74
DPND-PHENYLALANINER1NRQ0.74
DPND-PHENYLALANINEB,C,F,G2A1D0.74
DPND-PHENYLALANINEA,B2Q330.74
DPND-PHENYLALANINEC,H,L1DAN0.74
DPND-PHENYLALANINEP1MCE0.74
DPND-PHENYLALANINEB,C,E,F2A450.74
DPND-PHENYLALANINEA2RMI0.74
DPND-PHENYLALANINEA,B,I1TQ70.74
DPND-PHENYLALANINEA1W7M0.74
DPND-PHENYLALANINEP1HAP0.74
DPND-PHENYLALANINEA,B1ORF0.74
DPND-PHENYLALANINEI1IHS0.74
DPND-PHENYLALANINEP1MCC0.74
DPND-PHENYLALANINEA2RMD0.74
DPND-PHENYLALANINEA2JQB0.74
DPND-PHENYLALANINEI2HPQ0.74
DPND-PHENYLALANINEC,E,F1SHH0.74
DPND-PHENYLALANINEA,I1CVR0.74
DPND-PHENYLALANINEL,P1AUT0.74
DPND-PHENYLALANINEP1MCI0.74
DPND-PHENYLALANINEH,I3F6U0.74
DPND-PHENYLALANINEA1BFW0.74
DPND-PHENYLALANINEH,I1HAI0.74
DPND-PHENYLALANINEB,C2THF0.74
DPND-PHENYLALANINEI1IHT0.74
DPND-PHENYLALANINEA,P1MCJ0.74
DPND-PHENYLALANINEA1TKH0.74
DPND-PHENYLALANINEC,H,L,T2FIR0.74
DPND-PHENYLALANINEA2FMZ0.74
DPND-PHENYLALANINEA1YL90.74
DPND-PHENYLALANINEI1HUT0.74
DPND-PHENYLALANINEI1FXY0.74
DPND-PHENYLALANINEA1YL80.74
DPND-PHENYLALANINEC,H,L1QFK0.74
DPND-PHENYLALANINEP1MCB0.74
4PH4-methyl-L-phenylalanineB,C3BV90.74
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.7
CS3S-[3-OXO-3-(2-THIENYL)PROPYL]-L-
CYSTEINE
A2OQW0.8
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.72
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.72
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.72
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.72
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.72
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.72
4TB4-(2-THIENYL)BUTYRIC ACIDA,B2AY80.81
TIHBETA(2-THIENYL)ALANINEA1MMK0.95
TIHBETA(2-THIENYL)ALANINEB1EOJ0.95
TIHBETA(2-THIENYL)ALANINEA1KW00.95
TIHBETA(2-THIENYL)ALANINEA1BDK0.95
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.7
APD3-METHYLPHENYLALANINEA,B,C1GMY0.74
PHIIODO-PHENYLALANINEA1TF90.72
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.72
PHIIODO-PHENYLALANINEA1T6H0.72
PHIIODO-PHENYLALANINEA,B,C1NLU0.72
PHIIODO-PHENYLALANINEA,I1GA10.72
PHIIODO-PHENYLALANINEA,I1GA40.72
PHIIODO-PHENYLALANINEP1CZI0.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.71