MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00056108

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.81
PHL	L-PHENYLALANINOL	A,B	1JOH	0.76
PHL	L-PHENYLALANINOL	I	3APR	0.76
PHL	L-PHENYLALANINOL	A	1DLZ	0.76
PHL	L-PHENYLALANINOL	A	1IH9	0.76
PHL	L-PHENYLALANINOL	A	1OB4	0.76
PHL	L-PHENYLALANINOL	I	2ER6	0.76
PHL	L-PHENYLALANINOL	A	1R9U	0.76
PHL	L-PHENYLALANINOL	A	1OB7	0.76
PHL	L-PHENYLALANINOL	A,B	1OB6	0.76
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.76
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.71
PRY	2-PROPYL-ANILINE	A	1OWY	0.78
271	N-methyl-1-phenylmethanamine	X	2RBT	0.83
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.75
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.75
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.76
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.77
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.76
NFA	PHENYLALANINE AMIDE	A	2A4O	0.76
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.76
34A	3,4-DIMETHYLANILINE	A	1L4K	0.75
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.74
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.75
PMI	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID	A,B,C,D,E,F, G,H	2O7E	0.71
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.74
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.74
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.74
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.79
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.79
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.7
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.74
ABN	BENZYLAMINE	D,H	2HXC	0.88
ABN	BENZYLAMINE	A,I	1A86	0.88
ABN	BENZYLAMINE	A	1UTN	0.88
ABN	BENZYLAMINE	A	1N6X	0.88
ABN	BENZYLAMINE	A	2BZA	0.88
ABN	BENZYLAMINE	A	2EUS	0.88
ABN	BENZYLAMINE	A	1N6Y	0.88
ABN	BENZYLAMINE	A	1UTJ	0.88
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.84
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.84
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.84
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.84
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.84
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.7
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.72
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.86
PHA	PHENYLALANINAL	A,B	1OB2	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.76
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.76
PHA	PHENYLALANINAL	P	3SGA	0.76
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.76
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.76
PHA	PHENYLALANINAL	A,B	1KDV	0.76
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.76
PHA	PHENYLALANINAL	A,B	1KDY	0.76
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.76
PHA	PHENYLALANINAL	A,B	1KE2	0.76
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.76
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.76
PYL	PHENYLETHANE	C	1B07	0.71
PYL	PHENYLETHANE	A,B	2VRM	0.71
PYL	PHENYLETHANE	A	1NHB	0.71
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.89
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.89
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.89
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.89
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.77
BHY	N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide	A,B	3BBR	0.71
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.77
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.72
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.73
HPH	PHENYLALANINDIOL	I	1E5O	0.73
HPH	PHENYLALANINDIOL	A,B	1ODX	0.73
HPH	PHENYLALANINDIOL	A,B	1MTB	0.73
HPH	PHENYLALANINDIOL	A,B	2FGV	0.73
HPH	PHENYLALANINDIOL	A	1ODW	0.73
HPH	PHENYLALANINDIOL	A,B	2FGU	0.73
HPH	PHENYLALANINDIOL	A,B	1HXB	0.73
N4B	N-BUTYLBENZENE	A	186L	0.71
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.71
DPK	DEPRENYL	A,B	2BYB	0.79
I4B	ISOBUTYLBENZENE	A	184L	0.73
CPU		A,B	1CR6	0.72
BEN	BENZAMIDINE	A	2TIO	0.74
BEN	BENZAMIDINE	A	1J15	0.74
BEN	BENZAMIDINE	A,B	3BEU	0.74
BEN	BENZAMIDINE	T	1V2U	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF8	0.74
BEN	BENZAMIDINE	A	1S0R	0.74
BEN	BENZAMIDINE	A,B	1V16	0.74
BEN	BENZAMIDINE	A	1CC7	0.74
BEN	BENZAMIDINE	A	3BG8	0.74
BEN	BENZAMIDINE	A	1CC8	0.74
BEN	BENZAMIDINE	A	3PTB	0.74
BEN	BENZAMIDINE	A,B	1TRM	0.74
BEN	BENZAMIDINE	A	1ZHR	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	1NKZ	0.74
BEN	BENZAMIDINE	A	2BLV	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLP	0.74
BEN	BENZAMIDINE	H,I	3D49	0.74
BEN	BENZAMIDINE	H,L,T	2AER	0.74
BEN	BENZAMIDINE	A	1J14	0.74
BEN	BENZAMIDINE	A	1NSA	0.74
BEN	BENZAMIDINE	A	2AYW	0.74
BEN	BENZAMIDINE	A	1BRA	0.74
BEN	BENZAMIDINE	A,B,C,D	1A0J	0.74
BEN	BENZAMIDINE	B,C,D	2AST	0.74
BEN	BENZAMIDINE	A,B	2CKR	0.74
BEN	BENZAMIDINE	A	1LPU	0.74
BEN	BENZAMIDINE	A	1ZHM	0.74
BEN	BENZAMIDINE	A	1J8A	0.74
BEN	BENZAMIDINE	A,B	3BCX	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF9	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3D04	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLL	0.74
BEN	BENZAMIDINE	A	1AND	0.74
BEN	BENZAMIDINE	A	2TBS	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP2	0.74
BEN	BENZAMIDINE	T	1V2M	0.74
BEN	BENZAMIDINE	A	2EEK	0.74
BEN	BENZAMIDINE	H,I	2ZI2	0.74
BEN	BENZAMIDINE	T	1V2J	0.74
BEN	BENZAMIDINE	H	1KLI	0.74
BEN	BENZAMIDINE	A	1CE5	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3B7J	0.74
BEN	BENZAMIDINE	B,Y	2PKA	0.74
BEN	BENZAMIDINE	A	2VJ0	0.74
BEN	BENZAMIDINE	A	3B3J	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOY	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP3	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLM	0.74
BEN	BENZAMIDINE	A	1ANB	0.74
BEN	BENZAMIDINE	A	1LO6	0.74
BEN	BENZAMIDINE	A	1LR4	0.74
BEN	BENZAMIDINE	A,B	1V1M	0.74
BEN	BENZAMIDINE	A	1ZHP	0.74
BEN	BENZAMIDINE	A	2J9N	0.74
BEN	BENZAMIDINE	A	2BMV	0.74
BEN	BENZAMIDINE	A,B	2CKS	0.74
BEN	BENZAMIDINE	A	2BLW	0.74
BEN	BENZAMIDINE	A	1J16	0.74
BEN	BENZAMIDINE	A,B	1V11	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP0	0.74
BEN	BENZAMIDINE	B	1RTF	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP1	0.74
BEN	BENZAMIDINE	A,B,C,D	2E58	0.74
BEN	BENZAMIDINE	A	2TRM	0.74
BEN	BENZAMIDINE	T	1V2V	0.74
BEN	BENZAMIDINE	A	1MBQ	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOZ	0.74
BEN	BENZAMIDINE	A	2O8U	0.74
BEN	BENZAMIDINE	H	1DWB	0.74
BEN	BENZAMIDINE	B,C	2ASS	0.74
BEN	BENZAMIDINE	A	1ANE	0.74
BEN	BENZAMIDINE	H,I	2ZIQ	0.74
BEN	BENZAMIDINE	A	1BIT	0.74
BEN	BENZAMIDINE	A	2AIQ	0.74
BEN	BENZAMIDINE	A	2OQ5	0.74
BEN	BENZAMIDINE	A	1ANC	0.74
BEN	BENZAMIDINE	H	1JBU	0.74
BEN	BENZAMIDINE	A,B	2BPQ	0.74
BEN	BENZAMIDINE	A,B,C,D	2GNN	0.74
BEN	BENZAMIDINE	T	1V2S	0.74
BEN	BENZAMIDINE	A	1H4W	0.74
BEN	BENZAMIDINE	A	1OSS	0.74
BEN	BENZAMIDINE	A	1W80	0.74
BEN	BENZAMIDINE	A	1BTY	0.74
BEN	BENZAMIDINE	H,I	2ZFQ	0.74
BEN	BENZAMIDINE	A	1EAX	0.74
BEN	BENZAMIDINE	A	1L2E	0.74
BEN	BENZAMIDINE	A	1WRI	0.74
BEN	BENZAMIDINE	A,B	3BB8	0.74
BEN	BENZAMIDINE	A	2OXS	0.74
BEN	BENZAMIDINE	A	1DPO	0.74
BEN	BENZAMIDINE	T	1V2L	0.74
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.84
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.84
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.74
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.82
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.77
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.86
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.86
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.86
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.86
TA2	(2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL	A,B	2IFR	0.73
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.79
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.79
PCS	PHENYLALANYLMETHYLCHLORIDE	B,D	1DLK	0.71
PCS	PHENYLALANYLMETHYLCHLORIDE	A	1XQX	0.71
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.88
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.88
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.89
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.89
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.8
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.74
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.71
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.81
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.8
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.8
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.8
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.76
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.73
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.82
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.77
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.72
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.88
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.88
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.74
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.77
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.77
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.77
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.71
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.77
FPR	PROPYLBENZENE	C	1RHK	0.71
BAM	BENZAMIDINE	U	1F5K	0.74
BAM	BENZAMIDINE	X	2BY8	0.74
BAM	BENZAMIDINE	B	2PSM	0.74
BAM	BENZAMIDINE	X	2BY9	0.74
BAM	BENZAMIDINE	A	1C1N	0.74
BAM	BENZAMIDINE	X	2BY6	0.74
BAM	BENZAMIDINE	H,I	1C5O	0.74
BAM	BENZAMIDINE	A	1XX4	0.74
BAM	BENZAMIDINE	A	1HJ8	0.74
BAM	BENZAMIDINE	A	1C5P	0.74
BAM	BENZAMIDINE	B	1C5Z	0.74
BAM	BENZAMIDINE	A,B	1ZVW	0.74
BAM	BENZAMIDINE	A	2ANW	0.74
BAM	BENZAMIDINE	A	2ANY	0.74
BAM	BENZAMIDINE	X	2BYA	0.74
BAM	BENZAMIDINE	A	1TIO	0.74
BAM	BENZAMIDINE	X	2BY5	0.74
BAM	BENZAMIDINE	X	2BY7	0.74
MFG	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE	A,B	2VZ2	0.71
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.95
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.88
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.88
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.88
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.88
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.88
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.88
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.88
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.88
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.77
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.77
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.77
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.71
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.76
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.79
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.79
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.79
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.79